[(3R)-1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-1-ium-3-yl]-phenyl-methanone

Systemtic Name: [(3R)-1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-1-ium-3-yl]-phenyl-methanone Openeye Name: [(3R)-1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-1-ium-3-yl]-phenyl-methanone CAS Name: [(3R)-1-[(3S)-1-(4-fluorophenyl)-3-pyrrolidinyl]-3-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [(3R)-1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-1-ium-3-yl]-phenylmethanone Traditional Name: [(3R)-1-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]piperidin-1-ium-3-yl]-phenyl-methanone Formula: C22H26FN2O+ MolecularWeight: 353.453043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(C2)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@H](C[NH+](C1)[C@H]2CCN(C2)C3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25FN2O/c23-19-8-10-20(11-9-19)25-14-12-21(16-25)24-13-4-7-18(15-24)22(26)17-5-2-1-3-6-17/h1-3,5-6,8-11,18,21H,4,7,12-16H2/p+1/t18-,21+/m1/s1