[1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidin-4-yl]-cycloheptyl-methyl-azanium

Systemtic Name: [1-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperidin-4-yl]-cycloheptyl-methyl-azanium Openeye Name: [1-[(3-chloro-2-methyl-phenyl)carbamothioyl]-4-piperidyl]-cycloheptyl-methyl-ammonium CAS Name: [1-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-4-piperidinyl]-cycloheptyl-methylammonium IUPAC Name: [1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidin-4-yl]-cycloheptyl-methylazanium Traditional Name: [1-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]-4-piperidyl]-cycloheptyl-methyl-ammonium Formula: C21H33ClN3S+ MolecularWeight: 395.02482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC(CC2)[NH+](C)C3CCCCCC3

InChI

InChI=1S/C21H32ClN3S/c1-16-19(22)10-7-11-20(16)23-21(26)25-14-12-18(13-15-25)24(2)17-8-5-3-4-6-9-17/h7,10-11,17-18H,3-6,8-9,12-15H2,1-2H3,(H,23,26)/p+1