2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-pyridin-1-ium-2-yl-ethanamide

Systemtic Name: 2-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]-N-pyridin-1-ium-2-yl-ethanamide Openeye Name: 2-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]-N-pyridin-1-ium-2-yl-acetamide CAS Name: 2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]-N-(2-pyridin-1-iumyl)acetamide IUPAC Name: 2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]-N-pyridin-1-ium-2-ylacetamide Traditional Name: 2-[[2-(1-keto-2-isoquinolyl)acetyl]amino]-N-pyridin-1-ium-2-yl-acetamide Formula: C18H17N4O3+ MolecularWeight: 337.35258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCC(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C2C(=C1)C=CN(C2=O)CC(=O)NCC(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C18H16N4O3/c23-16(21-15-7-3-4-9-19-15)11-20-17(24)12-22-10-8-13-5-1-2-6-14(13)18(22)25/h1-10H,11-12H2,(H,20,24)(H,19,21,23)/p+1