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

Systemtic Name: N-(2-methylquinolin-4-yl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(2-methyl-4-quinolyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(2-methyl-4-quinolinyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-methylquinolin-4-yl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(2-methyl-4-quinolyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCNCC3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCNCC3

InChI

InChI=1S/C16H20N4O/c1-12-10-15(13-4-2-3-5-14(13)18-12)19-16(21)11-20-8-6-17-7-9-20/h2-5,10,17H,6-9,11H2,1H3,(H,18,19,21)/p+1