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

Systemtic Name: 3-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C19H34N4OS+2 MolecularWeight: 366.56446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=S)NCCC[NH+](C)C

InChI

InChI=1S/C19H32N4OS/c1-16-6-7-18(24-4)17(14-16)15-22-10-12-23(13-11-22)19(25)20-8-5-9-21(2)3/h6-7,14H,5,8-13,15H2,1-4H3,(H,20,25)/p+2