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

Systemtic Name: cyclopentyl-methyl-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: cyclopentyl-methyl-[1-(o-tolylcarbamothioyl)-4-piperidyl]ammonium CAS Name: cyclopentyl-methyl-[1-[(2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]ammonium IUPAC Name: cyclopentyl-methyl-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: cyclopentyl-methyl-[1-(o-tolylthiocarbamoyl)-4-piperidyl]ammonium Formula: C19H30N3S+ MolecularWeight: 332.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)C3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC(CC2)[NH+](C)C3CCCC3

InChI

InChI=1S/C19H29N3S/c1-15-7-3-6-10-18(15)20-19(23)22-13-11-17(12-14-22)21(2)16-8-4-5-9-16/h3,6-7,10,16-17H,4-5,8-9,11-14H2,1-2H3,(H,20,23)/p+1