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

Systemtic Name: ethyl 1-[[3-(3,4-dimethylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(3,4-dimethylphenyl)imino-2-oxo-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(3,4-dimethylphenyl)imino-2-oxo-1-indolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(3,4-dimethylphenyl)imino-2-oxoindol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(3,4-dimethylphenyl)imino-2-keto-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C25H30N3O3+ MolecularWeight: 420.524

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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)C)C2=O

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-4-31-25(30)19-11-13-27(14-12-19)16-28-22-8-6-5-7-21(22)23(24(28)29)26-20-10-9-17(2)18(3)15-20/h5-10,15,19H,4,11-14,16H2,1-3H3/p+1