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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-butyl-3-propyl-quinolin-4-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-butyl-3-propyl-4-quinolyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2-butyl-3-propyl-4-quinolinyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-butyl-3-propylquinolin-4-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-butyl-3-propyl-4-quinolyl)acetamide Formula: C24H36N3O+ MolecularWeight: 382.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1CCC)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1CCC)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C24H35N3O/c1-3-5-14-21-19(12-4-2)24(20-13-8-9-15-22(20)25-21)26-23(28)18-27-16-10-6-7-11-17-27/h8-9,13,15H,3-7,10-12,14,16-18H2,1-2H3,(H,25,26,28)/p+1