(4-methylphenyl)methyl 2-(3-morpholin-4-ium-4-ylpropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (4-methylphenyl)methyl 2-(3-morpholin-4-ium-4-ylpropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: p-tolylmethyl 2-(3-morpholin-4-ium-4-ylpropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[3-(4-morpholin-4-iumyl)propyl]-1,3-dioxo-5-isoindolecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 2-(3-morpholin-4-ium-4-ylpropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-morpholin-4-ium-4-ylpropyl)isoindoline-5-carboxylic acid (4-methylbenzyl) ester Formula: C24H27N2O5+ MolecularWeight: 423.48158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC[NH+]4CCOCC4

InChI

InChI=1S/C24H26N2O5/c1-17-3-5-18(6-4-17)16-31-24(29)19-7-8-20-21(15-19)23(28)26(22(20)27)10-2-9-25-11-13-30-14-12-25/h3-8,15H,2,9-14,16H2,1H3/p+1