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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC2CCC[NH+](C2)C3CC4=CC=CC=C4C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3)F

InChI

InChI=1S/C22H27FN2O/c1-26-21-9-8-18(22(23)13-21)14-24-19-7-4-10-25(15-19)20-11-16-5-2-3-6-17(16)12-20/h2-3,5-6,8-9,13,19-20,24H,4,7,10-12,14-15H2,1H3/p+1/t19-/m0/s1