(2R)-2-morpholin-4-ium-4-yl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-morpholin-4-ium-4-yl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-morpholin-4-ium-4-yl-acetate CAS Name: (2R)-2-(4-morpholin-4-iumyl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-morpholin-4-ium-4-yl-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-morpholin-4-ium-4-yl-acetate Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H22N2O4/c24-21(25)20(23-8-10-26-11-9-23)18-13-22-19-7-6-16(12-17(18)19)27-14-15-4-2-1-3-5-15/h1-7,12-13,20,22H,8-11,14H2,(H,24,25)/t20-/m1/s1