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

Systemtic Name: (3S)-1-[(4-fluoranyl-3-methoxy-phenyl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(4-fluoro-3-methoxy-phenyl)methyl]-N-methyl-N-[2-(2-pyridyl)ethyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(4-fluoro-3-methoxy-benzyl)piperidin-1-ium-3-yl]-methyl-[2-(2-pyridyl)ethyl]amine Formula: C21H29FN3O+ MolecularWeight: 358.472863

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2CCC[NH+](C2)CC3=CC(=C(C=C3)F)OC

Isomeric SMILES

CN(CCC1=CC=CC=N1)[C@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)F)OC

InChI

InChI=1S/C21H28FN3O/c1-24(13-10-18-6-3-4-11-23-18)19-7-5-12-25(16-19)15-17-8-9-20(22)21(14-17)26-2/h3-4,6,8-9,11,14,19H,5,7,10,12-13,15-16H2,1-2H3/p+1/t19-/m0/s1