N-[(1-ethylpiperidin-1-ium-2-yl)methyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide

Systemtic Name: N-[(1-ethylpiperidin-1-ium-2-yl)methyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide Openeye Name: N-[(1-ethylpiperidin-1-ium-2-yl)methyl]-2-(1-oxo-2-isoquinolyl)acetamide CAS Name: N-[(1-ethyl-2-piperidin-1-iumyl)methyl]-2-(1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-[(1-ethylpiperidin-1-ium-2-yl)methyl]-2-(1-oxoisoquinolin-2-yl)acetamide Traditional Name: N-[(1-ethylpiperidin-1-ium-2-yl)methyl]-2-(1-keto-2-isoquinolyl)acetamide Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCCC1CNC(=O)CN2C=CC3=CC=CC=C3C2=O

Isomeric SMILES

CC[NH+]1CCCCC1CNC(=O)CN2C=CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H25N3O2/c1-2-21-11-6-5-8-16(21)13-20-18(23)14-22-12-10-15-7-3-4-9-17(15)19(22)24/h3-4,7,9-10,12,16H,2,5-6,8,11,13-14H2,1H3,(H,20,23)/p+1