[1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-propan-2-yl-azanium

Systemtic Name: [1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-propan-2-yl-azanium Openeye Name: [1-[(3,5-dimethylphenyl)carbamothioyl]-4-piperidyl]-isopropyl-methyl-ammonium CAS Name: [1-[(3,5-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methyl-propan-2-ylammonium IUPAC Name: [1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-propan-2-ylazanium Traditional Name: [1-[(3,5-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-isopropyl-methyl-ammonium Formula: C18H30N3S+ MolecularWeight: 320.5159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3S/c1-13(2)20(5)17-6-8-21(9-7-17)18(22)19-16-11-14(3)10-15(4)12-16/h10-13,17H,6-9H2,1-5H3,(H,19,22)/p+1