2-methyl-5-[4-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]carbonylpiperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-methyl-5-[4-[(3S)-1-pyridin-1-ium-2-ylpiperidin-3-yl]carbonylpiperazin-1-yl]pyridazin-3-one Openeye Name: 2-methyl-5-[4-[(3S)-1-pyridin-1-ium-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one CAS Name: 2-methyl-5-[4-[oxo-[(3S)-1-(2-pyridin-1-iumyl)-3-piperidinyl]methyl]-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-methyl-5-[4-[(3S)-1-pyridin-1-ium-2-ylpiperidine-3-carbonyl]piperazin-1-yl]pyridazin-3-one Traditional Name: 2-methyl-5-[4-[(3S)-1-pyridin-1-ium-2-ylnipecotoyl]piperazino]pyridazin-3-one Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CCN(CC2)C(=O)C3CCCN(C3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CCN(CC2)C(=O)[C@H]3CCCN(C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H26N6O2/c1-23-19(27)13-17(14-22-23)24-9-11-25(12-10-24)20(28)16-5-4-8-26(15-16)18-6-2-3-7-21-18/h2-3,6-7,13-14,16H,4-5,8-12,15H2,1H3/p+1/t16-/m0/s1