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

Systemtic Name: ethyl 1-[[5-methyl-2,3-bis(oxidanylidene)indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-methyl-2,3-dioxo-indolin-1-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-methyl-2,3-dioxo-1-indolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-methyl-2,3-dioxoindol-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2,3-diketo-5-methyl-indolin-1-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)C)C(=O)C2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)C)C(=O)C2=O

InChI

InChI=1S/C18H22N2O4/c1-3-24-18(23)13-6-8-19(9-7-13)11-20-15-5-4-12(2)10-14(15)16(21)17(20)22/h4-5,10,13H,3,6-9,11H2,1-2H3/p+1