N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-2-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-1H-isoindole-1-carboxamide

Systemtic Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-2-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-1H-isoindole-1-carboxamide Openeye Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-2-[(2-ethoxyphenyl)methyl]-3-oxo-isoindoline-1-carboxamide CAS Name: N-[3-(2,6-dimethyl-1-piperidin-1-iumyl)propyl]-2-[(2-ethoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide IUPAC Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-2-[(2-ethoxyphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide Traditional Name: N-[3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl]-2-(2-ethoxybenzyl)-3-keto-isoindoline-1-carboxamide Formula: C28H38N3O3+ MolecularWeight: 464.61962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2C(C3=CC=CC=C3C2=O)C(=O)NCCC[NH+]4C(CCCC4C)C

Isomeric SMILES

CCOC1=CC=CC=C1CN2C(C3=CC=CC=C3C2=O)C(=O)NCCC[NH+]4C(CCCC4C)C

InChI

InChI=1S/C28H37N3O3/c1-4-34-25-16-8-5-13-22(25)19-31-26(23-14-6-7-15-24(23)28(31)33)27(32)29-17-10-18-30-20(2)11-9-12-21(30)3/h5-8,13-16,20-21,26H,4,9-12,17-19H2,1-3H3,(H,29,32)/p+1