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

Systemtic Name: ethyl 1-[[2-oxidanylidene-3-(4-pentoxyphenyl)imino-indol-1-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[2-oxo-3-(4-pentoxyphenyl)imino-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[2-oxo-3-(4-pentoxyphenyl)imino-1-indolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[2-oxo-3-(4-pentoxyphenyl)iminoindol-1-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[3-(4-amoxyphenyl)imino-2-keto-indolin-1-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C28H36N3O4+ MolecularWeight: 478.60314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)N=C2C3=CC=CC=C3N(C2=O)C[NH+]4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C28H35N3O4/c1-3-5-8-19-35-23-13-11-22(12-14-23)29-26-24-9-6-7-10-25(24)31(27(26)32)20-30-17-15-21(16-18-30)28(33)34-4-2/h6-7,9-14,21H,3-5,8,15-20H2,1-2H3/p+1