3-[[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(4-cyanobenzyl)piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C18H29N5S+2 MolecularWeight: 347.52136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H27N5S/c1-21(2)9-3-8-20-18(24)23-12-10-22(11-13-23)15-17-6-4-16(14-19)5-7-17/h4-7H,3,8-13,15H2,1-2H3,(H,20,24)/p+2