methyl 3-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[1-oxo-2-(4-oxo-1-piperidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-ketopiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCC(=O)CC3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCC(=O)CC3

InChI

InChI=1S/C17H19N3O4/c1-24-17(23)16-15(12-4-2-3-5-13(12)18-16)19-14(22)10-20-8-6-11(21)7-9-20/h2-5,18H,6-10H2,1H3,(H,19,22)/p+1