2-cyclopentyl-3-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)-1H-isoindole-1-carboxamide

Systemtic Name: 2-cyclopentyl-3-oxidanylidene-N-(pyridin-1-ium-3-ylmethyl)-1H-isoindole-1-carboxamide Openeye Name: 2-cyclopentyl-3-oxo-N-(pyridin-1-ium-3-ylmethyl)isoindoline-1-carboxamide CAS Name: 2-cyclopentyl-3-oxo-N-(3-pyridin-1-iumylmethyl)-1H-isoindole-1-carboxamide IUPAC Name: 2-cyclopentyl-3-oxo-N-(pyridin-1-ium-3-ylmethyl)-1H-isoindole-1-carboxamide Traditional Name: 2-cyclopentyl-3-keto-N-(pyridin-1-ium-3-ylmethyl)isoindoline-1-carboxamide Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=C[NH+]=CC=C4

Isomeric SMILES

C1CCC(C1)N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=C[NH+]=CC=C4

InChI

InChI=1S/C20H21N3O2/c24-19(22-13-14-6-5-11-21-12-14)18-16-9-3-4-10-17(16)20(25)23(18)15-7-1-2-8-15/h3-6,9-12,15,18H,1-2,7-8,13H2,(H,22,24)/p+1