N-[3-(3-fluorophenyl)phenyl]-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(3-fluorophenyl)phenyl]-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-fluorophenyl)phenyl]-1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-fluorophenyl)phenyl]-1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-fluorophenyl)phenyl]-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-fluorophenyl)phenyl]-1-vanillyl-piperidin-1-ium-4-carboxamide Formula: C26H28FN2O3+ MolecularWeight: 435.510523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F)O

InChI

InChI=1S/C26H27FN2O3/c1-32-25-14-18(8-9-24(25)30)17-29-12-10-19(11-13-29)26(31)28-23-7-3-5-21(16-23)20-4-2-6-22(27)15-20/h2-9,14-16,19,30H,10-13,17H2,1H3,(H,28,31)/p+1