3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C20H36N4O2S+2 MolecularWeight: 396.59044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NCCC[NH+](C)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=S)NCCC[NH+](C)C)OC)OC

InChI

InChI=1S/C20H34N4O2S/c1-16-13-18(25-4)19(26-5)14-17(16)15-23-9-11-24(12-10-23)20(27)21-7-6-8-22(2)3/h13-14H,6-12,15H2,1-5H3,(H,21,27)/p+2