methyl 1-[[2,3-bis(oxidanylidene)-5-propan-2-yl-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[[2,3-bis(oxidanylidene)-5-propan-2-yl-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(5-isopropyl-2,3-dioxo-indolin-1-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2,3-dioxo-5-propan-2-yl-1-indolyl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-isopropyl-2,3-diketo-indolin-1-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H24N2O4/c1-12(2)14-4-5-16-15(10-14)17(22)18(23)21(16)11-20-8-6-13(7-9-20)19(24)25-3/h4-5,10,12-13H,6-9,11H2,1-3H3/p+1