6-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonyl-2-methyl-4,5-dihydropyridazin-3-one

Systemtic Name: 6-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonyl-2-methyl-4,5-dihydropyridazin-3-one Openeye Name: 6-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one CAS Name: 6-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]-2-methyl-4,5-dihydropyridazin-3-one IUPAC Name: 6-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one Traditional Name: 6-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CCC(=N1)C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=O)CCC(=N1)C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H31N5O3/c1-24-21(28)10-9-18(23-24)22(29)27-11-5-6-17(16-27)25-12-14-26(15-13-25)19-7-3-4-8-20(19)30-2/h3-4,7-8,17H,5-6,9-16H2,1-2H3/p+1/t17-/m0/s1