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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2/c1-22-20(27)19-17-9-5-6-10-18(17)21(28)26(23-19)15-24-11-13-25(14-12-24)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,27)/p+1