(1S)-1-(3-fluoranyl-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: (1S)-1-(3-fluoranyl-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: (1S)-1-(3-fluoro-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethanamine CAS Name: (1S)-1-(3-fluoro-4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: (1S)-1-(3-fluoro-4-methoxyphenyl)-2-piperidin-1-ium-1-ylethanamine Traditional Name: [(1S)-1-(3-fluoro-4-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]amine Formula: C14H22FN2O+ MolecularWeight: 253.335683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[NH+]2CCCCC2)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C[NH+]2CCCCC2)N)F

InChI

InChI=1S/C14H21FN2O/c1-18-14-6-5-11(9-12(14)15)13(16)10-17-7-3-2-4-8-17/h5-6,9,13H,2-4,7-8,10,16H2,1H3/p+1/t13-/m1/s1