1-(3,4-dimethylphenyl)-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyridazine-3-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyridazine-3-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyridazine-3-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-4-oxo-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-3-pyridazinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]pyridazine-3-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)-4-keto-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]pyridazine-3-carboxamide Formula: C26H31N4O2+ MolecularWeight: 431.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4)C

InChI

InChI=1S/C26H30N4O2/c1-19-11-12-22(17-20(19)2)30-16-13-24(31)25(28-30)26(32)27-18-23(21-9-5-3-6-10-21)29-14-7-4-8-15-29/h3,5-6,9-13,16-17,23H,4,7-8,14-15,18H2,1-2H3,(H,27,32)/p+1/t23-/m0/s1