N-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine

Systemtic Name: N-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine Openeye Name: N-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine CAS Name: N-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-2-(4-methoxyphenyl)-N-[(1-methyl-4-piperidin-1-iumyl)methyl]ethanamine IUPAC Name: N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine Traditional Name: (5-fluoro-2-pyrazol-1-yl-benzyl)-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]amine Formula: C26H34FN4O+ MolecularWeight: 437.572763

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)CC3=C(C=CC(=C3)F)N4C=CC=N4

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)CC3=C(C=CC(=C3)F)N4C=CC=N4

InChI

InChI=1S/C26H33FN4O/c1-29-15-10-22(11-16-29)19-30(17-12-21-4-7-25(32-2)8-5-21)20-23-18-24(27)6-9-26(23)31-14-3-13-28-31/h3-9,13-14,18,22H,10-12,15-17,19-20H2,1-2H3/p+1