N,1-dimethyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N,1-dimethyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N,1-dimethyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-6-oxo-pyridazine-3-carboxamide CAS Name: N,1-dimethyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: N,1-dimethyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-N,1-dimethyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]pyridazine-3-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)C3=NN(C(=O)C=C3)C

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@@H](C2)CN(C)C(=O)C3=NN(C(=O)C=C3)C

InChI

InChI=1S/C22H30N4O2/c1-17-7-4-5-9-19(17)12-14-26-13-6-8-18(16-26)15-24(2)22(28)20-10-11-21(27)25(3)23-20/h4-5,7,9-11,18H,6,8,12-16H2,1-3H3/p+1/t18-/m1/s1