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

Systemtic Name: (6R)-1-cyclohexyl-4-[(4-fluoranyl-3-methoxy-phenyl)methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-1-cyclohexyl-4-[(4-fluoro-3-methoxy-phenyl)methyl]-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-1-cyclohexyl-4-[(4-fluoro-3-methoxyphenyl)methyl]-6-(2-pyridinylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-1-cyclohexyl-4-[(4-fluoro-3-methoxyphenyl)methyl]-6-(pyridin-2-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-1-cyclohexyl-4-(4-fluoro-3-methoxy-benzyl)-6-(2-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C25H33FN3O3+ MolecularWeight: 442.546223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CC(CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=N4)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2C[C@@H](CN(C(=O)C2)C3CCCCC3)OCC4=CC=CC=N4)F

InChI

InChI=1S/C25H32FN3O3/c1-31-24-13-19(10-11-23(24)26)14-28-15-22(32-18-20-7-5-6-12-27-20)16-29(25(30)17-28)21-8-3-2-4-9-21/h5-7,10-13,21-22H,2-4,8-9,14-18H2,1H3/p+1/t22-/m0/s1