(2S)-2-(6-bromanyl-1H-indol-3-yl)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(6-bromanyl-1H-indol-3-yl)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(6-bromo-1H-indol-3-yl)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)acetate CAS Name: (2S)-2-(6-bromo-1H-indol-3-yl)-2-(4-methoxycarbonyl-1-piperidin-1-iumyl)acetate IUPAC Name: (2S)-2-(6-bromo-1H-indol-3-yl)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(6-bromo-1H-indol-3-yl)-2-(4-carbomethoxypiperidin-1-ium-1-yl)acetate Formula: C17H19BrN2O4 MolecularWeight: 395.24776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-]

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-]

InChI

InChI=1S/C17H19BrN2O4/c1-24-17(23)10-4-6-20(7-5-10)15(16(21)22)13-9-19-14-8-11(18)2-3-12(13)14/h2-3,8-10,15,19H,4-7H2,1H3,(H,21,22)/t15-/m0/s1