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

Systemtic Name: methyl 5-methyl-3-[2-(4-oxidanylidenepiperidin-1-ium-1-yl)ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-methyl-3-[[2-(4-oxopiperidin-1-ium-1-yl)acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[1-oxo-2-(4-oxo-1-piperidin-1-iumyl)ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-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]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCC(=O)CC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCC(=O)CC3)C(=O)OC

InChI

InChI=1S/C18H21N3O4/c1-11-3-4-14-13(9-11)16(17(19-14)18(24)25-2)20-15(23)10-21-7-5-12(22)6-8-21/h3-4,9,19H,5-8,10H2,1-2H3,(H,20,23)/p+1