(6R)-4-[(4-fluoranyl-3-methoxy-phenyl)methyl]-6-oxidanyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-4-[(4-fluoranyl-3-methoxy-phenyl)methyl]-6-oxidanyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-4-[(4-fluoro-3-methoxy-phenyl)methyl]-6-hydroxy-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-4-[(4-fluoro-3-methoxyphenyl)methyl]-6-hydroxy-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-4-[(4-fluoro-3-methoxyphenyl)methyl]-6-hydroxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-4-(4-fluoro-3-methoxy-benzyl)-6-hydroxy-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C19H23FN3O3+ MolecularWeight: 360.402623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CC(CN(C(=O)C2)CC3=CN=CC=C3)O)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2C[C@@H](CN(C(=O)C2)CC3=CN=CC=C3)O)F

InChI

InChI=1S/C19H22FN3O3/c1-26-18-7-14(4-5-17(18)20)9-22-11-16(24)12-23(19(25)13-22)10-15-3-2-6-21-8-15/h2-8,16,24H,9-13H2,1H3/p+1/t16-/m0/s1