ethyl 1-[[3-(2-methylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[3-(2-methylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(o-tolylimino)-2-oxo-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(2-methylphenyl)imino-2-oxo-1-indolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(2-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-keto-3-(o-tolylimino)indolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NC4=CC=CC=C4C)C2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NC4=CC=CC=C4C)C2=O

InChI

InChI=1S/C24H27N3O3/c1-3-30-24(29)18-12-14-26(15-13-18)16-27-21-11-7-5-9-19(21)22(23(27)28)25-20-10-6-4-8-17(20)2/h4-11,18H,3,12-16H2,1-2H3/p+1