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

Systemtic Name: cycloheptyl-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: cycloheptyl-[1-[(2,3-dimethylphenyl)carbamothioyl]-4-piperidyl]-methyl-ammonium CAS Name: cycloheptyl-[1-[(2,3-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: cycloheptyl-[1-[(2,3-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: cycloheptyl-[1-[(2,3-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-methyl-ammonium Formula: C22H36N3S+ MolecularWeight: 374.60634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCCC3)C

InChI

InChI=1S/C22H35N3S/c1-17-9-8-12-21(18(17)2)23-22(26)25-15-13-20(14-16-25)24(3)19-10-6-4-5-7-11-19/h8-9,12,19-20H,4-7,10-11,13-16H2,1-3H3,(H,23,26)/p+1