2-(azepan-1-ium-1-yl)-N-(2-methylquinolin-4-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-methylquinolin-4-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-4-quinolyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2-methyl-4-quinolinyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-methylquinolin-4-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-4-quinolyl)acetamide Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C18H23N3O/c1-14-12-17(15-8-4-5-9-16(15)19-14)20-18(22)13-21-10-6-2-3-7-11-21/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3,(H,19,20,22)/p+1