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dimethyl(octadecyl)(3-sulfopropyl)azanium

dimethyl(octadecyl)(3-sulfopropyl)azanium

CAS: 13177-41-8

Formula: C23H50NO3S

SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCS(O)(=O)=O

IUPAC: dimethyl(octadecyl)(3-sulfopropyl)azanium

InChI: InChI=1S/C23H49NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27/h4-23H2,1-3H3/p+1

Composition: C (65.66%), H (11.98%), N (3.33%), O (11.41%), S (7.62%)

Molar Mass: 420.72

Atom Count: 78

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 420.350592068
Formal Charge 1
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DIROHOMJLWMERM-UHFFFAOYSA-O
Lipinski's Rule of Five 1
Molar Refractivity 133.74
Topological Polar Surface Area 54.37
Polarizability 49.16
Ring Count 0
Rotatable Bond Count 21

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