1-(chloromethyl)-1-methyl-4-{5-methyl-4-thia-2,9-diazatricyclo[8.4.0.0³,?]tetradeca-1(10),3(7),5,8,11,13-hexaen-8-yl}piperazin-1-ium chloride

CAS: 719300-59-1

Formula: C18H22Cl2N4S

SMILES: [Cl-].CC1=CC2=C(NC3=C(C=CC=C3)N=C2N2CC[N+](C)(CCl)CC2)S1

IUPAC: 1-(chloromethyl)-1-methyl-4-{5-methyl-4-thia-2,9-diazatricyclo[8.4.0.0³,?]tetradeca-1(10),3(7),5,8,11,13-hexaen-8-yl}piperazin-1-ium chloride

InChI: InChI=1S/C18H22ClN4S.ClH/c1-13-11-14-17(22-7-9-23(2,12-19)10-8-22)20-15-5-3-4-6-16(15)21-18(14)24-13;/h3-6,11,21H,7-10,12H2,1-2H3;1H/q+1;/p-1

Composition: C (54.41%), H (5.58%), Cl (17.84%), N (14.10%), S (8.07%)

Molar Mass: 397.36

Atom Count: 47

Heavy Atom Count: 25