2-[(3-ethoxyphenyl)methyl]-3-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)-1H-isoindole-1-carboxamide

Systemtic Name: 2-[(3-ethoxyphenyl)methyl]-3-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)-1H-isoindole-1-carboxamide Openeye Name: 2-[(3-ethoxyphenyl)methyl]-3-oxo-N-(pyridin-1-ium-3-ylmethyl)isoindoline-1-carboxamide CAS Name: 2-[(3-ethoxyphenyl)methyl]-3-oxo-N-(3-pyridin-1-iumylmethyl)-1H-isoindole-1-carboxamide IUPAC Name: 2-[(3-ethoxyphenyl)methyl]-3-oxo-N-(pyridin-1-ium-3-ylmethyl)-1H-isoindole-1-carboxamide Traditional Name: 2-(3-ethoxybenzyl)-3-keto-N-(pyridin-1-ium-3-ylmethyl)isoindoline-1-carboxamide Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1)CN2C(C3=CC=CC=C3C2=O)C(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C24H23N3O3/c1-2-30-19-9-5-7-17(13-19)16-27-22(20-10-3-4-11-21(20)24(27)29)23(28)26-15-18-8-6-12-25-14-18/h3-14,22H,2,15-16H2,1H3,(H,26,28)/p+1