N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[[2-methyl-5-(3-methyl-4-oxo-phthalazin-1-yl)phenyl]methyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]methyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-methyl-benzyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)CNC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O2/c1-17-10-11-18(23-20-8-4-5-9-21(20)24(30)27(2)26-23)14-19(17)15-25-22(29)16-28-12-6-3-7-13-28/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,25,29)/p+1