5-(4-methylpiperazin-4-ium-1-yl)-2-(3-phenylmethoxypropyl)pyridazin-3-one

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(3-phenylmethoxypropyl)pyridazin-3-one Openeye Name: 2-(3-benzyloxypropyl)-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-2-(3-phenylmethoxypropyl)-3-pyridazinone IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-2-(3-phenylmethoxypropyl)pyridazin-3-one Traditional Name: 2-(3-benzoxypropyl)-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C19H27N4O2+ MolecularWeight: 343.44328

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CCCOCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CCCOCC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O2/c1-21-9-11-22(12-10-21)18-14-19(24)23(20-15-18)8-5-13-25-16-17-6-3-2-4-7-17/h2-4,6-7,14-15H,5,8-13,16H2,1H3/p+1