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

Systemtic Name: ethyl 1-[[2-oxidanylidene-3-(4-phenoxyphenyl)imino-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-oxo-3-(4-phenoxyphenyl)imino-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-oxo-3-(4-phenoxyphenyl)imino-1-indolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-oxo-3-(4-phenoxyphenyl)iminoindol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[2-keto-3-(4-phenoxyphenyl)imino-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C29H30N3O4+ MolecularWeight: 484.5662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)OC5=CC=CC=C5)C2=O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)OC5=CC=CC=C5)C2=O

InChI

InChI=1S/C29H29N3O4/c1-2-35-29(34)21-16-18-31(19-17-21)20-32-26-11-7-6-10-25(26)27(28(32)33)30-22-12-14-24(15-13-22)36-23-8-4-3-5-9-23/h3-15,21H,2,16-20H2,1H3/p+1