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

Systemtic Name: butyl-[1-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]piperidin-4-yl]-methyl-azanium Openeye Name: butyl-[1-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-4-piperidyl]-methyl-ammonium CAS Name: butyl-[1-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-4-piperidinyl]-methylammonium IUPAC Name: butyl-[1-[(3-chloro-4-fluorophenyl)carbamothioyl]piperidin-4-yl]-methylazanium Traditional Name: butyl-[1-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-4-piperidyl]-methyl-ammonium Formula: C17H26ClFN3S+ MolecularWeight: 358.924843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCC[NH+](C)C1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H25ClFN3S/c1-3-4-9-21(2)14-7-10-22(11-8-14)17(23)20-13-5-6-16(19)15(18)12-13/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,20,23)/p+1