N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[3-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]propyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propyl]-4-keto-3-phenyl-phthalazine-1-carboxamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O3/c1-17-15-27(16-18(2)31-17)14-8-13-25-23(29)22-20-11-6-7-12-21(20)24(30)28(26-22)19-9-4-3-5-10-19/h3-7,9-12,17-18H,8,13-16H2,1-2H3,(H,25,29)/p+1/t17-,18-/m0/s1