N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-6-oxidanylidene-N-(pyridin-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

Systemtic Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-6-oxidanylidene-N-(pyridin-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide Openeye Name: N-[[1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl]-6-oxo-N-(3-pyridylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide CAS Name: N-[[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]-6-oxo-N-(3-pyridinylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide IUPAC Name: N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-6-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide Traditional Name: 6-keto-N-[[1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl]-N-(3-pyridylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide Formula: C25H32N5O2+ MolecularWeight: 434.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=NNC(=O)CC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)CN(CC3=CN=CC=C3)C(=O)C4=NNC(=O)CC4

InChI

InChI=1S/C25H31N5O2/c1-19-5-2-3-7-22(19)18-29-13-10-20(11-14-29)16-30(17-21-6-4-12-26-15-21)25(32)23-8-9-24(31)28-27-23/h2-7,12,15,20H,8-11,13-14,16-18H2,1H3,(H,28,31)/p+1