1-(azepan-1-yl)-2-(4-quinolin-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-quinolin-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo(2-quinolinyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(quinoline-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-(4-quinaldoylpiperazin-1-ium-1-yl)ethanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H28N4O2/c27-21(25-11-5-1-2-6-12-25)17-24-13-15-26(16-14-24)22(28)20-10-9-18-7-3-4-8-19(18)23-20/h3-4,7-10H,1-2,5-6,11-17H2/p+1