2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-[4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C22H29FN3O2+ MolecularWeight: 386.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CN2CCC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CN2CCC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O2/c1-17-4-9-21(28-2)20(14-17)24-22(27)16-26-11-3-10-25(12-13-26)15-18-5-7-19(23)8-6-18/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,24,27)/p+1