[(3S)-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperidin-3-yl]-(4-phenoxyphenyl)methanone

Systemtic Name: [(3S)-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonylpiperidin-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-piperidyl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-3-piperidinyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-(1-oxidopyridin-1-ium-3-carbonyl)-3-piperidyl]-(4-phenoxyphenyl)methanone Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C[N+](=CC=C2)[O-])C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C[N+](=CC=C2)[O-])C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O4/c27-23(18-10-12-22(13-11-18)30-21-8-2-1-3-9-21)19-6-4-14-25(16-19)24(28)20-7-5-15-26(29)17-20/h1-3,5,7-13,15,17,19H,4,6,14,16H2/t19-/m0/s1