N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-p-anisyl-1,4-diazepan-4-ium-1-carboxamide Formula: C22H29FN3O2+ MolecularWeight: 386.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)OC)F

InChI

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