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

Systemtic Name: ethyl 1-[[3-(3-bromanyl-4-methyl-phenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(3-bromo-4-methyl-phenyl)imino-2-oxo-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxo-1-indolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(3-bromo-4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(3-bromo-4-methyl-phenyl)imino-2-keto-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H27BrN3O3+ MolecularWeight: 485.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NC4=CC(=C(C=C4)C)Br)C2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NC4=CC(=C(C=C4)C)Br)C2=O

InChI

InChI=1S/C24H26BrN3O3/c1-3-31-24(30)17-10-12-27(13-11-17)15-28-21-7-5-4-6-19(21)22(23(28)29)26-18-9-8-16(2)20(25)14-18/h4-9,14,17H,3,10-13,15H2,1-2H3/p+1