1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-2-[4-(5-nitro-8-quinolinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(3S,5S)-3,5-dimethylpiperidino]-2-[4-(5-nitro-8-quinolyl)piperazin-1-ium-1-yl]ethanone Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4)C

InChI

InChI=1S/C22H29N5O3/c1-16-12-17(2)14-26(13-16)21(28)15-24-8-10-25(11-9-24)20-6-5-19(27(29)30)18-4-3-7-23-22(18)20/h3-7,16-17H,8-15H2,1-2H3/p+1/t16-,17-/m0/s1