2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(3-methyl-1-oxo-2-isoquinolyl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(3-methyl-1-oxo-2-isoquinolinyl)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(1-keto-3-methyl-2-isoquinolyl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H25N3O3/c1-15-13-16-5-2-3-6-17(16)19(24)22(15)14-18(23)20-7-4-8-21-9-11-25-12-10-21/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,20,23)/p+1