2-[4-(6-chloranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(6-chloranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(6-chloro-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[(6-chloro-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(6-chloro-2-methylquinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(6-chloro-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C22H28ClN4O2+ MolecularWeight: 415.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)Cl)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCC4

InChI

InChI=1S/C22H27ClN4O2/c1-16-19(14-17-13-18(23)5-6-20(17)24-16)22(29)27-11-9-25(10-12-27)15-21(28)26-7-3-2-4-8-26/h5-6,13-14H,2-4,7-12,15H2,1H3/p+1