methyl 5-chloranyl-3-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-chloro-3-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[[1-oxo-2-(4-oxo-1-piperidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[[2-(4-ketopiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C17H19ClN3O4+ MolecularWeight: 364.80346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCC(=O)CC3

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)C[NH+]3CCC(=O)CC3

InChI

InChI=1S/C17H18ClN3O4/c1-25-17(24)16-15(12-8-10(18)2-3-13(12)19-16)20-14(23)9-21-6-4-11(22)5-7-21/h2-3,8,19H,4-7,9H2,1H3,(H,20,23)/p+1