(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-3-ol Formula: C19H31FN2O2+2 MolecularWeight: 338.460043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCCCCC3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCCCCC3)F

InChI

InChI=1S/C19H29FN2O2/c1-24-19-12-15(6-7-16(19)20)13-21-11-8-17(18(23)14-21)22-9-4-2-3-5-10-22/h6-7,12,17-18,23H,2-5,8-11,13-14H2,1H3/p+2/t17-,18-/m1/s1