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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32ClN3S/c1-16-9-10-20(19(22)15-16)23-21(26)25-13-11-18(12-14-25)24(2)17-7-5-3-4-6-8-17/h9-10,15,17-18H,3-8,11-14H2,1-2H3,(H,23,26)/p+1