N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C21H26FN2O+ MolecularWeight: 341.442343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3)F

InChI

InChI=1S/C21H25FN2O/c1-16-13-18(7-10-20(16)22)14-23-21(25)19-8-5-17(6-9-19)15-24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,25)/p+1