1-(azepan-1-yl)-2-[4-(2-methylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-methylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2-methylquinoline-4-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(2-methyl-4-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-methylquinoline-4-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2-methylquinoline-4-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H30N4O2/c1-18-16-20(19-8-4-5-9-21(19)24-18)23(29)27-14-12-25(13-15-27)17-22(28)26-10-6-2-3-7-11-26/h4-5,8-9,16H,2-3,6-7,10-15,17H2,1H3/p+1