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

Systemtic Name: [1-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperidin-4-yl]-cycloheptyl-methyl-azanium Openeye Name: [1-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-4-piperidyl]-cycloheptyl-methyl-ammonium CAS Name: [1-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-4-piperidinyl]-cycloheptyl-methylammonium IUPAC Name: [1-[(3-chloro-4-fluorophenyl)carbamothioyl]piperidin-4-yl]-cycloheptyl-methylazanium Traditional Name: [1-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-4-piperidyl]-cycloheptyl-methyl-ammonium Formula: C20H30ClFN3S+ MolecularWeight: 398.988703

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCCC1)C2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C[NH+](C1CCCCCC1)C2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H29ClFN3S/c1-24(16-6-4-2-3-5-7-16)17-10-12-25(13-11-17)20(26)23-15-8-9-19(22)18(21)14-15/h8-9,14,16-17H,2-7,10-13H2,1H3,(H,23,26)/p+1