(3S)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide CAS Name: (3S)-1-[6-(4-methoxyphenyl)-3-pyridazinyl]-N-(4-methyl-1-piperazin-4-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)nipecotamide Formula: C22H31N6O2+ MolecularWeight: 411.52054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2CCCN(C2)C3=NN=C(C=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)[C@H]2CCCN(C2)C3=NN=C(C=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H30N6O2/c1-26-12-14-28(15-13-26)25-22(29)18-4-3-11-27(16-18)21-10-9-20(23-24-21)17-5-7-19(30-2)8-6-17/h5-10,18H,3-4,11-16H2,1-2H3,(H,25,29)/p+1/t18-/m0/s1