(3S)-1-[(2,3-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2,3-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2,3-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2,3-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2,3-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-1-ium-3-amine Traditional Name: (4-fluorophenyl)-[(3S)-1-o-veratrylpiperidin-1-ium-3-yl]amine Formula: C20H26FN2O2+ MolecularWeight: 345.431043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCCC(C2)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN2O2/c1-24-19-7-3-5-15(20(19)25-2)13-23-12-4-6-18(14-23)22-17-10-8-16(21)9-11-17/h3,5,7-11,18,22H,4,6,12-14H2,1-2H3/p+1/t18-/m0/s1