2-methyl-6-[(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]carbonyl-4,5-dihydropyridazin-3-one

Systemtic Name: 2-methyl-6-[(3R)-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidin-1-yl]carbonyl-4,5-dihydropyridazin-3-one Openeye Name: 2-methyl-6-[(3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one CAS Name: 2-methyl-6-[oxo-[(3R)-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-piperidinyl]methyl]-4,5-dihydropyridazin-3-one IUPAC Name: 2-methyl-6-[(3R)-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one Traditional Name: 6-[(3R)-3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one Formula: C23H33N6O3+ MolecularWeight: 441.54652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC(=N1)C(=O)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN1C(=O)CCC(=N1)C(=O)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H32N6O3/c1-26-21(30)10-8-19(25-26)23(32)29-12-4-5-18(17-29)7-9-22(31)28-15-13-27(14-16-28)20-6-2-3-11-24-20/h2-3,6,11,18H,4-5,7-10,12-17H2,1H3/p+1/t18-/m1/s1