(2-fluoranyl-5-methoxy-phenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium

Systemtic Name: (2-fluoranyl-5-methoxy-phenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium Openeye Name: (2-fluoro-5-methoxy-phenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: (2-fluoro-5-methoxyphenyl)methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-phenethylammonium IUPAC Name: (2-fluoro-5-methoxyphenyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethylazanium Traditional Name: (2-fluoro-5-methoxy-benzyl)-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C23H33FN2O+2 MolecularWeight: 372.519323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=C(C=CC(=C3)OC)F

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=C(C=CC(=C3)OC)F

InChI

InChI=1S/C23H31FN2O/c1-25-13-10-20(11-14-25)17-26(15-12-19-6-4-3-5-7-19)18-21-16-22(27-2)8-9-23(21)24/h3-9,16,20H,10-15,17-18H2,1-2H3/p+2