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

Systemtic Name: N-methyl-3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-methyl-3-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-3-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]phthalazine-1-carboxamide Formula: C22H26N5O2+ MolecularWeight: 392.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)NC

InChI

InChI=1S/C22H25N5O2/c1-16-6-5-7-17(14-16)26-12-10-25(11-13-26)15-27-22(29)19-9-4-3-8-18(19)20(24-27)21(28)23-2/h3-9,14H,10-13,15H2,1-2H3,(H,23,28)/p+1