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

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-2-(1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-(1H-indol-3-yl)acetate IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Formula: C16H20N2O2 MolecularWeight: 272.3422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C16H20N2O2/c19-16(20)15(18-9-5-1-2-6-10-18)13-11-17-14-8-4-3-7-12(13)14/h3-4,7-8,11,15,17H,1-2,5-6,9-10H2,(H,19,20)/t15-/m1/s1