[(3S,4S)-4-(3-hydroxyphenyl)piperidin-1-ium-3-yl] 4-phenylbenzoate chloride

Systemtic Name: [(3S,4S)-4-(3-hydroxyphenyl)piperidin-1-ium-3-yl] 4-phenylbenzoate chloride Openeye Name: [(3S,4S)-4-(3-hydroxyphenyl)piperidin-1-ium-3-yl] 4-phenylbenzoate chloride CAS Name: 4-phenylbenzoic acid [(3S,4S)-4-(3-hydroxyphenyl)-3-piperidin-1-iumyl] ester chloride IUPAC Name: [(3S,4S)-4-(3-hydroxyphenyl)piperidin-1-ium-3-yl] 4-phenylbenzoate chloride Traditional Name: 4-phenylbenzoic acid [(3S,4S)-4-(3-hydroxyphenyl)piperidin-1-ium-3-yl] ester chloride Formula: C24H24ClNO3 MolecularWeight: 409.90526

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC(C1C2=CC(=CC=C2)O)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1C[NH2+]C[C@H]([C@@H]1C2=CC(=CC=C2)O)OC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C24H23NO3.ClH/c26-21-8-4-7-20(15-21)22-13-14-25-16-23(22)28-24(27)19-11-9-18(10-12-19)17-5-2-1-3-6-17;/h1-12,15,22-23,25-26H,13-14,16H2;1H/t22-,23+;/m0./s1