(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl-methyl-[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl-methyl-[(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl]ammonium CAS Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl-methyl-[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]azanium Traditional Name: (3-fluoro-4-methoxy-benzyl)-[(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl]-methyl-ammonium Formula: C22H29FN3O3+ MolecularWeight: 402.482363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+](C)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)[NH+](C)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H28FN3O3/c1-16(25(2)15-17-4-9-21(28-3)20(23)14-17)22(27)24-18-5-7-19(8-6-18)26-10-12-29-13-11-26/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,27)/p+1/t16-/m1/s1