N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-6-methyl-4-oxidanylidene-1-phenyl-pyridazine-3-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-6-methyl-4-oxidanylidene-1-phenyl-pyridazine-3-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-6-methyl-4-oxo-1-phenyl-pyridazine-3-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-6-methyl-4-oxo-1-phenyl-3-pyridazinecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-6-methyl-1-phenyl-pyridazine-3-carboxamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4

InChI

InChI=1S/C26H30N4O3/c1-19-17-24(31)25(28-30(19)21-9-5-3-6-10-21)26(32)27-18-23(29-15-7-4-8-16-29)20-11-13-22(33-2)14-12-20/h3,5-6,9-14,17,23H,4,7-8,15-16,18H2,1-2H3,(H,27,32)/p+1/t23-/m0/s1