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

Systemtic Name: butyl-methyl-[1-[(3-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Openeye Name: butyl-methyl-[1-(m-tolylcarbamothioyl)-4-piperidyl]ammonium CAS Name: butyl-methyl-[1-[(3-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]ammonium IUPAC Name: butyl-methyl-[1-[(3-methylphenyl)carbamothioyl]piperidin-4-yl]azanium Traditional Name: butyl-methyl-[1-(m-tolylthiocarbamoyl)-4-piperidyl]ammonium Formula: C18H30N3S+ MolecularWeight: 320.5159

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C1CCN(CC1)C(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCCC[NH+](C)C1CCN(CC1)C(=S)NC2=CC=CC(=C2)C

InChI

InChI=1S/C18H29N3S/c1-4-5-11-20(3)17-9-12-21(13-10-17)18(22)19-16-8-6-7-15(2)14-16/h6-8,14,17H,4-5,9-13H2,1-3H3,(H,19,22)/p+1