[(3S)-1-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-(3-fluoranyl-4-methoxy-phenyl)carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-(3-fluoro-4-methoxy-benzoyl)-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-(3-fluoro-4-methoxy-benzoyl)-3-piperidyl]-methyl-ammonium Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O2/c1-23(14-16-7-4-3-5-8-16)18-9-6-12-24(15-18)21(25)17-10-11-20(26-2)19(22)13-17/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3/p+1/t18-/m0/s1