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

Systemtic Name: ethyl 1-[[3-(4-ethylphenyl)imino-2-oxidanylidene-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[3-(4-ethylphenyl)imino-2-oxo-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[3-(4-ethylphenyl)imino-2-oxo-1-indolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-ethylphenyl)imino-2-oxoindol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(4-ethylphenyl)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:

CCC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)C(=O)OCC

InChI

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