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

Systemtic Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[(4-p-anisylpiperazin-4-ium-1-carbothioyl)amino]propyl]ammonium Formula: C18H32N4OS+2 MolecularWeight: 352.53788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4OS/c1-20(2)10-4-9-19-18(24)22-13-11-21(12-14-22)15-16-5-7-17(23-3)8-6-16/h5-8H,4,9-15H2,1-3H3,(H,19,24)/p+2