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

Systemtic Name: cycloheptyl-[1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: cycloheptyl-[1-[(3,5-dimethylphenyl)carbamothioyl]-4-piperidyl]-methyl-ammonium CAS Name: cycloheptyl-[1-[(3,5-dimethylanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: cycloheptyl-[1-[(3,5-dimethylphenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: cycloheptyl-[1-[(3,5-dimethylphenyl)thiocarbamoyl]-4-piperidyl]-methyl-ammonium Formula: C22H36N3S+ MolecularWeight: 374.60634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3S/c1-17-14-18(2)16-19(15-17)23-22(26)25-12-10-21(11-13-25)24(3)20-8-6-4-5-7-9-20/h14-16,20-21H,4-13H2,1-3H3,(H,23,26)/p+1