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

Systemtic Name: N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]phthalazine-1-carboxamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3/c1-18(2)16-30-26(32)22-7-5-4-6-21(22)24(28-30)25(31)27-23(17-29-12-14-33-15-13-29)20-10-8-19(3)9-11-20/h4-11,18,23H,12-17H2,1-3H3,(H,27,31)/p+1/t23-/m1/s1