(2R)-2-(azepan-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H24N2O2/c25-22(26)21(24-14-8-1-2-9-15-24)19-17-12-6-7-13-18(17)23-20(19)16-10-4-3-5-11-16/h3-7,10-13,21,23H,1-2,8-9,14-15H2,(H,25,26)/t21-/m1/s1