N-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-p-anisyl-1,4-diazepan-4-ium-1-carboxamide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O2/c1-26-19-9-3-16(4-10-19)15-23-11-2-12-24(14-13-23)20(25)22-18-7-5-17(21)6-8-18/h3-10H,2,11-15H2,1H3,(H,22,25)/p+1