2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanidyl-1-(3-phenylpropyl)-3,4-dihydropyridin-1-ium-2-carboxylic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-oxidanidyl-1-(3-phenylpropyl)-3,4-dihydropyridin-1-ium-2-carboxylic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-1-oxido-1-(3-phenylpropyl)-3,4-dihydropyridin-1-ium-2-carboxylic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-1-oxido-1-(3-phenylpropyl)-3,4-dihydropyridin-1-ium-2-carboxylic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-1-oxido-1-(3-phenylpropyl)-3,4-dihydropyridin-1-ium-2-carboxylic acid Traditional Name: 1-oxido-1-(3-phenylpropyl)-2-phthalimido-3,4-dihydropyridin-1-ium-2-carboxylic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](C=C1)(CCCC2=CC=CC=C2)[O-])(C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC([N+](C=C1)(CCCC2=CC=CC=C2)[O-])(C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H22N2O5/c26-20-18-12-4-5-13-19(18)21(27)24(20)23(22(28)29)14-6-7-15-25(23,30)16-8-11-17-9-2-1-3-10-17/h1-5,7,9-10,12-13,15H,6,8,11,14,16H2,(H,28,29)