(2R)-2-(1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetate IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C(C3=CNC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)[C@H](C3=CNC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C22H24N2O2/c25-22(26)21(19-15-23-20-9-5-4-8-18(19)20)24-12-10-17(11-13-24)14-16-6-2-1-3-7-16/h1-9,15,17,21,23H,10-14H2,(H,25,26)/t21-/m1/s1