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

Systemtic Name: [1-[(2,6-diethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium Openeye Name: [1-[(2,6-diethylphenyl)carbamothioyl]-4-piperidyl]-isopentyl-methyl-ammonium CAS Name: [1-[(2,6-diethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-(3-methylbutyl)ammonium IUPAC Name: [1-[(2,6-diethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-(3-methylbutyl)azanium Traditional Name: [1-[(2,6-diethylphenyl)thiocarbamoyl]-4-piperidyl]-isoamyl-methyl-ammonium Formula: C22H38N3S+ MolecularWeight: 376.62222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(CC2)[NH+](C)CCC(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCC(CC2)[NH+](C)CCC(C)C

InChI

InChI=1S/C22H37N3S/c1-6-18-9-8-10-19(7-2)21(18)23-22(26)25-15-12-20(13-16-25)24(5)14-11-17(3)4/h8-10,17,20H,6-7,11-16H2,1-5H3,(H,23,26)/p+1