1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[4-(5-nitro-8-quinolinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]ethanone Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

C[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C21H27N5O3/c1-16-5-2-3-10-25(16)20(27)15-23-11-13-24(14-12-23)19-8-7-18(26(28)29)17-6-4-9-22-21(17)19/h4,6-9,16H,2-3,5,10-15H2,1H3/p+1/t16-/m0/s1