(2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-ium-1-yl)acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methyl-1-piperidin-1-iumyl)acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-ium-1-yl)acetate Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C17H22N2O3/c1-11-5-7-19(8-6-11)16(17(20)21)14-10-18-15-4-3-12(22-2)9-13(14)15/h3-4,9-11,16,18H,5-8H2,1-2H3,(H,20,21)/t16-/m0/s1