3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2/c1-16-7-6-10-20(17(16)2)27-13-11-26(12-14-27)15-28-23(30)19-9-5-4-8-18(19)21(25-28)22(29)24-3/h4-10H,11-15H2,1-3H3,(H,24,29)/p+1