methyl-(3-methylbutyl)-[1-[(3-methylphenyl)carbamothioyl]piperidin-4-yl]azanium

Systemtic Name: methyl-(3-methylbutyl)-[1-[(3-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: isopentyl-methyl-[1-(m-tolylcarbamothioyl)-4-piperidyl]ammonium CAS Name: methyl-[1-[(3-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-(3-methylbutyl)ammonium IUPAC Name: methyl-(3-methylbutyl)-[1-[(3-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: isoamyl-methyl-[1-(m-tolylthiocarbamoyl)-4-piperidyl]ammonium Formula: C19H32N3S+ MolecularWeight: 334.54248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3S/c1-15(2)8-11-21(4)18-9-12-22(13-10-18)19(23)20-17-7-5-6-16(3)14-17/h5-7,14-15,18H,8-13H2,1-4H3,(H,20,23)/p+1