5-[methyl-(phenylmethyl)amino]-2-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyridazin-3-one

Systemtic Name: 5-[methyl-(phenylmethyl)amino]-2-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyridazin-3-one Openeye Name: 5-[benzyl(methyl)amino]-2-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyridazin-3-one CAS Name: 5-[methyl-(phenylmethyl)amino]-2-[2-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]ethyl]-3-pyridazinone IUPAC Name: 5-[benzyl(methyl)amino]-2-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyridazin-3-one Traditional Name: 5-[benzyl(methyl)amino]-2-[2-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethyl]pyridazin-3-one Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CCN2C(=O)C=C(C=N2)N(C)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC[C@H]1CCN2C(=O)C=C(C=N2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O/c1-21-11-6-9-17(21)10-12-23-19(24)13-18(14-20-23)22(2)15-16-7-4-3-5-8-16/h3-5,7-8,13-14,17H,6,9-12,15H2,1-2H3/p+1/t17-/m0/s1