(2R)-2-(azepan-1-ium-1-yl)-2-(5-chloranyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-2-(5-chloranyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-2-(5-chloro-1H-indol-3-yl)acetate CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-(5-chloro-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-2-(5-chloro-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-(5-chloro-1H-indol-3-yl)acetate Formula: C16H19ClN2O2 MolecularWeight: 306.78726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C16H19ClN2O2/c17-11-5-6-14-12(9-11)13(10-18-14)15(16(20)21)19-7-3-1-2-4-8-19/h5-6,9-10,15,18H,1-4,7-8H2,(H,20,21)/t15-/m1/s1