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

Systemtic Name: 2-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-1,3-dioxo-2-(p-tolyl)isoindoline-5-carboxamide CAS Name: 2-(4-methylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-(4-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-N-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolyl)isoindoline-5-carboxamide Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C23H25N3O4/c1-16-3-6-18(7-4-16)26-22(28)19-8-5-17(15-20(19)23(26)29)21(27)24-9-2-10-25-11-13-30-14-12-25/h3-8,15H,2,9-14H2,1H3,(H,24,27)/p+1