3-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]phthalazine-1-carboxamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H26N4O3/c1-16-7-9-17(10-8-16)20(15-27-11-13-30-14-12-27)24-22(28)21-18-5-3-4-6-19(18)23(29)26(2)25-21/h3-10,20H,11-15H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1