dimethyl-[3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbothioylamino]propyl]azanium Openeye Name: 3-[[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbothioyl]amino]propyl]azanium Traditional Name: 3-[[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C20H36N4S+2 MolecularWeight: 364.59164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N4S/c1-17(2)19-8-6-18(7-9-19)16-23-12-14-24(15-13-23)20(25)21-10-5-11-22(3)4/h6-9,17H,5,10-16H2,1-4H3,(H,21,25)/p+2