[1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium

Systemtic Name: [1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium Openeye Name: [1-[(3,5-dimethylphenyl)carbamothioyl]-4-piperidyl]-isopentyl-methyl-ammonium CAS Name: [1-[(3,5-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(3-methylbutyl)ammonium IUPAC Name: [1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium Traditional Name: [1-[(3,5-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-isoamyl-methyl-ammonium Formula: C20H34N3S+ MolecularWeight: 348.56906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)[NH+](C)CCC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)[NH+](C)CCC(C)C)C

InChI

InChI=1S/C20H33N3S/c1-15(2)6-9-22(5)19-7-10-23(11-8-19)20(24)21-18-13-16(3)12-17(4)14-18/h12-15,19H,6-11H2,1-5H3,(H,21,24)/p+1