2-(azepan-1-ium-1-yl)-N-(3-ethyl-2-propyl-quinolin-4-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3-ethyl-2-propyl-quinolin-4-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3-ethyl-2-propyl-4-quinolyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(3-ethyl-2-propyl-4-quinolinyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3-ethyl-2-propylquinolin-4-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3-ethyl-2-propyl-4-quinolyl)acetamide Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C22H31N3O/c1-3-11-19-17(4-2)22(18-12-7-8-13-20(18)23-19)24-21(26)16-25-14-9-5-6-10-15-25/h7-8,12-13H,3-6,9-11,14-16H2,1-2H3,(H,23,24,26)/p+1