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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3S/c1-17-10-11-21(18(2)16-17)23-22(26)25-14-12-20(13-15-25)24(3)19-8-6-4-5-7-9-19/h10-11,16,19-20H,4-9,12-15H2,1-3H3,(H,23,26)/p+1