[1-[(2,6-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium

Systemtic Name: [1-[(2,6-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium Openeye Name: [1-[(2,6-dimethylphenyl)carbamothioyl]-4-piperidyl]-isopentyl-methyl-ammonium CAS Name: [1-[(2,6-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(3-methylbutyl)ammonium IUPAC Name: [1-[(2,6-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium Traditional Name: [1-[(2,6-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-isoamyl-methyl-ammonium Formula: C20H34N3S+ MolecularWeight: 348.56906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3S/c1-15(2)9-12-22(5)18-10-13-23(14-11-18)20(24)21-19-16(3)7-6-8-17(19)4/h6-8,15,18H,9-14H2,1-5H3,(H,21,24)/p+1