1-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-6-oxidanylidene-N-phenethyl-pyridazine-3-carboxamide

Systemtic Name: 1-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-6-oxidanylidene-N-phenethyl-pyridazine-3-carboxamide Openeye Name: 1-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-6-oxo-N-phenethyl-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-6-oxo-N-phenethyl-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-6-oxo-N-phenethylpyridazine-3-carboxamide Traditional Name: 6-keto-1-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-N-phenethyl-pyridazine-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)C3=NN(C(=O)C=C3)C

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)C(=O)C3=NN(C(=O)C=C3)C

InChI

InChI=1S/C21H28N4O2/c1-23-13-10-18(11-14-23)16-25(15-12-17-6-4-3-5-7-17)21(27)19-8-9-20(26)24(2)22-19/h3-9,18H,10-16H2,1-2H3/p+1