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

Systemtic Name: methyl-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]-propan-2-yl-azanium Openeye Name: isopropyl-methyl-[1-(o-tolylcarbamothioyl)-4-piperidyl]ammonium CAS Name: methyl-[1-[(2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-propan-2-ylammonium IUPAC Name: methyl-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]-propan-2-ylazanium Traditional Name: isopropyl-methyl-[1-(o-tolylthiocarbamoyl)-4-piperidyl]ammonium Formula: C17H28N3S+ MolecularWeight: 306.48932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3S/c1-13(2)19(4)15-9-11-20(12-10-15)17(21)18-16-8-6-5-7-14(16)3/h5-8,13,15H,9-12H2,1-4H3,(H,18,21)/p+1