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

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-phthalazine-1-carboxamide Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCOCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCOCC4

InChI

InChI=1S/C23H26N4O4/c1-26-23(29)19-6-4-3-5-18(19)21(25-26)22(28)24-15-20(27-11-13-31-14-12-27)16-7-9-17(30-2)10-8-16/h3-10,20H,11-15H2,1-2H3,(H,24,28)/p+1/t20-/m1/s1