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

Systemtic Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetate IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)[C@H](C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C28H28N2O2/c31-28(32)27(30-17-15-21(16-18-30)19-20-9-3-1-4-10-20)25-23-13-7-8-14-24(23)29-26(25)22-11-5-2-6-12-22/h1-14,21,27,29H,15-19H2,(H,31,32)/t27-/m1/s1