methyl-(3-methylbutyl)-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]azanium

Systemtic Name: methyl-(3-methylbutyl)-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: isopentyl-methyl-[1-(o-tolylcarbamothioyl)-4-piperidyl]ammonium CAS Name: methyl-[1-[(2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-(3-methylbutyl)ammonium IUPAC Name: methyl-(3-methylbutyl)-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: isoamyl-methyl-[1-(o-tolylthiocarbamoyl)-4-piperidyl]ammonium Formula: C19H32N3S+ MolecularWeight: 334.54248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)CCC(C)C

InChI

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