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

Systemtic Name: 3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]phthalazine-1-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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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)C4=CC=CC=C43)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C21H23N5O2/c1-24-11-13-26(14-12-24)16-9-7-15(8-10-16)22-20(27)19-17-5-3-4-6-18(17)21(28)25(2)23-19/h3-10H,11-14H2,1-2H3,(H,22,27)/p+1