(2S)-2-(azepan-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(azepan-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(azepan-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-(1-azepan-1-iumyl)-2-(5-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(azepan-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(azepan-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCCCCC3

InChI

InChI=1S/C17H22N2O3/c1-22-12-6-7-15-13(10-12)14(11-18-15)16(17(20)21)19-8-4-2-3-5-9-19/h6-7,10-11,16,18H,2-5,8-9H2,1H3,(H,20,21)/t16-/m0/s1