2-chloranyl-4-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-chloranyl-4-[[(3S)-3-[(3-fluorophenyl)amino]piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-chloro-4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-chloro-4-[[(3S)-3-(3-fluoroanilino)-1-piperidin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-chloro-4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-chloro-4-[[(3S)-3-(3-fluoroanilino)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C19H23ClFN2O2+ MolecularWeight: 365.849523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCCC(C2)NC3=CC(=CC=C3)F)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC[C@@H](C2)NC3=CC(=CC=C3)F)Cl)O

InChI

InChI=1S/C19H22ClFN2O2/c1-25-18-9-13(8-17(20)19(18)24)11-23-7-3-6-16(12-23)22-15-5-2-4-14(21)10-15/h2,4-5,8-10,16,22,24H,3,6-7,11-12H2,1H3/p+1/t16-/m0/s1