2-[(3S)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C22H28FN2O+ MolecularWeight: 355.468923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCC(C2)N3CCC4=CC=CC=C4C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)N3CCC4=CC=CC=C4C3)F

InChI

InChI=1S/C22H27FN2O/c1-26-22-13-17(8-9-21(22)23)14-24-11-4-7-20(16-24)25-12-10-18-5-2-3-6-19(18)15-25/h2-3,5-6,8-9,13,20H,4,7,10-12,14-16H2,1H3/p+1/t20-/m0/s1