(4-fluorophenyl)-[1-[(2-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-fluorophenyl)-[1-[(2-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [1-[(4-benzyloxy-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-fluorophenyl)methanone CAS Name: (4-fluorophenyl)-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-fluorophenyl)-[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [1-(4-benzoxy-2-methoxy-benzyl)piperidin-1-ium-4-yl]-(4-fluorophenyl)methanone Formula: C27H29FNO3+ MolecularWeight: 434.522463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C[NH+]3CCC(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C[NH+]3CCC(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H28FNO3/c1-31-26-17-25(32-19-20-5-3-2-4-6-20)12-9-23(26)18-29-15-13-22(14-16-29)27(30)21-7-10-24(28)11-8-21/h2-12,17,22H,13-16,18-19H2,1H3/p+1