(2S)-2-(1H-indol-3-yl)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(1H-indol-3-yl)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(1H-indol-3-yl)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)acetate CAS Name: (2S)-2-(1H-indol-3-yl)-2-(4-methoxycarbonyl-1-piperidin-1-iumyl)acetate IUPAC Name: (2S)-2-(1H-indol-3-yl)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(4-carbomethoxypiperidin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C(C2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@@H](C2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C17H20N2O4/c1-23-17(22)11-6-8-19(9-7-11)15(16(20)21)13-10-18-14-5-3-2-4-12(13)14/h2-5,10-11,15,18H,6-9H2,1H3,(H,20,21)/t15-/m0/s1