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

Systemtic Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 3-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-4-keto-N-methyl-phthalazine-1-carboxamide Formula: C21H24N5O3+ MolecularWeight: 394.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C21H23N5O3/c1-22-20(28)19-15-6-2-3-7-16(15)21(29)26(23-19)14-24-10-12-25(13-11-24)17-8-4-5-9-18(17)27/h2-9,27H,10-14H2,1H3,(H,22,28)/p+1