(4-methoxyphenyl)-[(3S,4S)-3-oxidanyl-4-(4-phenylmethoxypiperidin-1-ium-1-yl)pyrrolidin-1-yl]methanone

Systemtic Name: (4-methoxyphenyl)-[(3S,4S)-3-oxidanyl-4-(4-phenylmethoxypiperidin-1-ium-1-yl)pyrrolidin-1-yl]methanone Openeye Name: [(3S,4S)-3-(4-benzyloxypiperidin-1-ium-1-yl)-4-hydroxy-pyrrolidin-1-yl]-(4-methoxyphenyl)methanone CAS Name: [(3S,4S)-3-hydroxy-4-(4-phenylmethoxy-1-piperidin-1-iumyl)-1-pyrrolidinyl]-(4-methoxyphenyl)methanone IUPAC Name: [(3S,4S)-3-hydroxy-4-(4-phenylmethoxypiperidin-1-ium-1-yl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone Traditional Name: [(3S,4S)-3-(4-benzoxypiperidin-1-ium-1-yl)-4-hydroxy-pyrrolidino]-(4-methoxyphenyl)methanone Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC(C(C2)O)[NH+]3CCC(CC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2C[C@@H]([C@H](C2)O)[NH+]3CCC(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O4/c1-29-20-9-7-19(8-10-20)24(28)26-15-22(23(27)16-26)25-13-11-21(12-14-25)30-17-18-5-3-2-4-6-18/h2-10,21-23,27H,11-17H2,1H3/p+1/t22-,23-/m0/s1