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

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-fluorophenyl)phenyl]-1-o-veratryl-piperidin-1-ium-4-carboxamide Formula: C27H30FN2O3+ MolecularWeight: 449.537103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H29FN2O3/c1-32-25-11-5-8-22(26(25)33-2)18-30-14-12-19(13-15-30)27(31)29-24-10-4-7-21(17-24)20-6-3-9-23(28)16-20/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,29,31)/p+1