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

Systemtic Name: ethyl 4-[[3-(4-methylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[2-oxo-3-(p-tolylimino)indolin-1-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(4-methylphenyl)imino-2-oxo-1-indolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-methylphenyl)imino-2-oxoindol-1-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-keto-3-(p-tolylimino)indolin-1-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)C)C2=O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)C)C2=O

InChI

InChI=1S/C23H26N4O3/c1-3-30-23(29)26-14-12-25(13-15-26)16-27-20-7-5-4-6-19(20)21(22(27)28)24-18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3/p+1