(3S)-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-[(3-fluoro-4-methoxy-phenyl)methyl]-1-(2-pyridylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-pyridinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-amine Traditional Name: (3-fluoro-4-methoxy-benzyl)-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]amine Formula: C19H25FN3O+ MolecularWeight: 330.419703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2CCC[NH+](C2)CC3=CC=CC=N3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN[C@H]2CCC[NH+](C2)CC3=CC=CC=N3)F

InChI

InChI=1S/C19H24FN3O/c1-24-19-8-7-15(11-18(19)20)12-22-17-6-4-10-23(14-17)13-16-5-2-3-9-21-16/h2-3,5,7-9,11,17,22H,4,6,10,12-14H2,1H3/p+1/t17-/m0/s1