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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C3=C(C=C(C=C3)C)C(=O)C2=O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C3=C(C=C(C=C3)C)C(=O)C2=O

InChI

InChI=1S/C18H22N2O4/c1-3-24-18(23)13-5-4-8-19(10-13)11-20-15-7-6-12(2)9-14(15)16(21)17(20)22/h6-7,9,13H,3-5,8,10-11H2,1-2H3/p+1/t13-/m0/s1