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

Systemtic Name: 2-[4-(6-chloranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(6-chloro-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[4-[(6-chloro-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(6-chloro-2-methylquinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(6-chloro-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylpiperidino]ethanone Formula: C23H30ClN4O2+ MolecularWeight: 429.9629

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=C4C=CC(=CC4=C3)Cl)C

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C(=O)C3=C(N=C4C=CC(=CC4=C3)Cl)C

InChI

InChI=1S/C23H29ClN4O2/c1-16-5-3-4-8-28(16)22(29)15-26-9-11-27(12-10-26)23(30)20-14-18-13-19(24)6-7-21(18)25-17(20)2/h6-7,13-14,16H,3-5,8-12,15H2,1-2H3/p+1/t16-/m0/s1