[(3R,4R)-4-phenylpiperidin-3-yl] 4-iodanylbenzoate hydrochloride

Systemtic Name: [(3R,4R)-4-phenylpiperidin-3-yl] 4-iodanylbenzoate hydrochloride Openeye Name: [(3R,4R)-4-phenyl-3-piperidyl] 4-iodobenzoate hydrochloride CAS Name: 4-iodobenzoic acid [(3R,4R)-4-phenyl-3-piperidinyl] ester hydrochloride IUPAC Name: [(3R,4R)-4-phenylpiperidin-3-yl] 4-iodobenzoate hydrochloride Traditional Name: 4-iodobenzoic acid [(3R,4R)-4-phenyl-3-piperidyl] ester hydrochloride Formula: C18H19ClINO2 MolecularWeight: 443.70643

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)I.Cl

Isomeric SMILES

C1CNC[C@@H]([C@H]1C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)I.Cl

InChI

InChI=1S/C18H18INO2.ClH/c19-15-8-6-14(7-9-15)18(21)22-17-12-20-11-10-16(17)13-4-2-1-3-5-13;/h1-9,16-17,20H,10-12H2;1H/t16-,17+;/m1./s1