(6R)-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-benzyl-4-[(2-fluoro-4-methoxy-phenyl)methyl]-6-methoxy-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(2-fluoro-4-methoxyphenyl)methyl]-6-methoxy-1-(phenylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-benzyl-4-[(2-fluoro-4-methoxyphenyl)methyl]-6-methoxy-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-benzyl-4-(2-fluoro-4-methoxy-benzyl)-6-methoxy-1,4-diazepan-4-ium-2-one Formula: C21H26FN2O3+ MolecularWeight: 373.441143

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Descriptors Computed from Structure

Canonical SMILES:

COC1C[NH+](CC(=O)N(C1)CC2=CC=CC=C2)CC3=C(C=C(C=C3)OC)F

Isomeric SMILES

CO[C@H]1C[NH+](CC(=O)N(C1)CC2=CC=CC=C2)CC3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O3/c1-26-18-9-8-17(20(22)10-18)12-23-13-19(27-2)14-24(21(25)15-23)11-16-6-4-3-5-7-16/h3-10,19H,11-15H2,1-2H3/p+1/t19-/m0/s1