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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)-N-homoveratryl-piperidin-1-ium-4-carboxamide Formula: C23H30FN2O3+ MolecularWeight: 401.494303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C23H29FN2O3/c1-28-21-8-5-17(15-22(21)29-2)9-12-25-23(27)19-10-13-26(14-11-19)16-18-3-6-20(24)7-4-18/h3-8,15,19H,9-14,16H2,1-2H3,(H,25,27)/p+1