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

Systemtic Name: 1-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: 1-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-6-oxo-pyridazine-3-carboxamide CAS Name: 1-methyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-6-oxo-3-pyridazinecarboxamide IUPAC Name: 1-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-6-oxopyridazine-3-carboxamide Traditional Name: 6-keto-1-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]pyridazine-3-carboxamide Formula: C17H22N5O2+ MolecularWeight: 328.38888

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C=C3)C

InChI

InChI=1S/C17H21N5O2/c1-20-9-11-22(12-10-20)14-5-3-13(4-6-14)18-17(24)15-7-8-16(23)21(2)19-15/h3-8H,9-12H2,1-2H3,(H,18,24)/p+1