1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-6-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[(3S)-1-[(4-isobutylphenyl)methyl]piperidin-1-ium-3-yl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidin-1-iumyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-1-ium-3-yl]-6-oxopyridazine-3-carboxamide Traditional Name: N-[(3S)-1-(4-isobutylbenzyl)piperidin-1-ium-3-yl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C[NH+]2CCCC(C2)NC(=O)C3=NN(C(=O)C=C3)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)NC(=O)C3=NN(C(=O)C=C3)C

InChI

InChI=1S/C22H30N4O2/c1-16(2)13-17-6-8-18(9-7-17)14-26-12-4-5-19(15-26)23-22(28)20-10-11-21(27)25(3)24-20/h6-11,16,19H,4-5,12-15H2,1-3H3,(H,23,28)/p+1/t19-/m0/s1