4-(4-fluorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]phthalazin-2-ium-1-amine

Systemtic Name: 4-(4-fluorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-yl-ethyl]phthalazin-2-ium-1-amine Openeye Name: 4-(4-fluorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]phthalazin-2-ium-1-amine CAS Name: 4-(4-fluorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholinyl)ethyl]-1-phthalazin-2-iumamine IUPAC Name: 4-(4-fluorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]phthalazin-2-ium-1-amine Traditional Name: [4-(4-fluorophenyl)phthalazin-2-ium-1-yl]-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]amine Formula: C27H28FN4O2+ MolecularWeight: 459.535223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=[NH+]N=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)N5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC2=[NH+]N=C(C3=CC=CC=C32)C4=CC=C(C=C4)F)N5CCOCC5

InChI

InChI=1S/C27H27FN4O2/c1-33-22-12-8-19(9-13-22)25(32-14-16-34-17-15-32)18-29-27-24-5-3-2-4-23(24)26(30-31-27)20-6-10-21(28)11-7-20/h2-13,25H,14-18H2,1H3,(H,29,31)/p+1/t25-/m0/s1