(2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-(4-benzylpiperidin-1-ium-1-yl)acetate CAS Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetate IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-(4-benzylpiperidin-1-ium-1-yl)acetate Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)[C@H](C3=CNC4=C3C=C(C=C4)OCC5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C29H30N2O3/c32-29(33)28(31-15-13-22(14-16-31)17-21-7-3-1-4-8-21)26-19-30-27-12-11-24(18-25(26)27)34-20-23-9-5-2-6-10-23/h1-12,18-19,22,28,30H,13-17,20H2,(H,32,33)/t28-/m1/s1