6-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate Openeye Name: 6-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate CAS Name: 6-[[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methylamino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate Traditional Name: 6-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=NN=C(C=C3)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3=NN=C(C=C3)[O-]

InChI

InChI=1S/C19H19N5O2/c1-24(13-14-6-3-2-4-7-14)18-15(8-5-11-20-18)12-21-19(26)16-9-10-17(25)23-22-16/h2-11H,12-13H2,1H3,(H,21,26)(H,23,25)