1-(azepan-1-yl)-2-(4-quinolin-8-ylcarbonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(4-quinolin-8-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(quinoline-8-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[oxo(8-quinolinyl)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(quinoline-8-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(quinoline-8-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H28N4O2/c27-20(25-11-3-1-2-4-12-25)17-24-13-15-26(16-14-24)22(28)19-9-5-7-18-8-6-10-23-21(18)19/h5-10H,1-4,11-17H2/p+1