3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide

Systemtic Name: 3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-3-[1-oxo-4-(p-tolyl)phthalazin-2-yl]propanamide CAS Name: 3-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]-N-[2-(4-morpholin-4-iumyl)ethyl]propanamide IUPAC Name: 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide Traditional Name: 3-[1-keto-4-(p-tolyl)phthalazin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propionamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C24H28N4O3/c1-18-6-8-19(9-7-18)23-20-4-2-3-5-21(20)24(30)28(26-23)12-10-22(29)25-11-13-27-14-16-31-17-15-27/h2-9H,10-17H2,1H3,(H,25,29)/p+1