2-[[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[(4-p-anisylpiperazin-4-ium-1-carbothioyl)amino]ethyl]ammonium Formula: C17H30N4OS+2 MolecularWeight: 338.5113

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC

Isomeric SMILES

C[NH+](C)CCNC(=S)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H28N4OS/c1-19(2)9-8-18-17(23)21-12-10-20(11-13-21)14-15-4-6-16(22-3)7-5-15/h4-7H,8-14H2,1-3H3,(H,18,23)/p+2