N'-(3-fluoranyl-4-methyl-phenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(3-fluoranyl-4-methyl-phenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(3-fluoro-4-methyl-phenyl)oxamide CAS Name: N'-(3-fluoro-4-methylphenyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(3-fluoro-4-methylphenyl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(3-fluoro-4-methyl-phenyl)oxamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)F

InChI

InChI=1S/C22H26FN3O2/c1-16-7-8-19(13-20(16)23)25-22(28)21(27)24-14-17-9-11-26(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)/p+1