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

Systemtic Name: ethyl 4-[[3-(4-methoxyphenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[3-(4-methoxyphenyl)imino-2-oxo-indolin-1-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[3-(4-methoxyphenyl)imino-2-oxo-1-indolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-methoxyphenyl)imino-2-oxoindol-1-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[2-keto-3-(4-methoxyphenyl)imino-indolin-1-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4/c1-3-31-23(29)26-14-12-25(13-15-26)16-27-20-7-5-4-6-19(20)21(22(27)28)24-17-8-10-18(30-2)11-9-17/h4-11H,3,12-16H2,1-2H3/p+1