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

Systemtic Name: 6-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate Openeye Name: 6-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate CAS Name: 6-[[[2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methylamino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate Traditional Name: 6-[[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methylcarbamoyl]pyridazin-3-olate Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=NN=C(C=C3)[O-]

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=NN=C(C=C3)[O-]

InChI

InChI=1S/C18H23N5O2/c1-23(14-7-3-2-4-8-14)17-13(6-5-11-19-17)12-20-18(25)15-9-10-16(24)22-21-15/h5-6,9-11,14H,2-4,7-8,12H2,1H3,(H,20,25)(H,22,24)