1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(2-fluoro-4-methoxy-phenyl)methyl]-4-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2-fluoro-4-methoxyphenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(2-fluoro-4-methoxy-benzyl)-4-(2-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)CC3=C(C=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CCC2=O)CC3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O2/c1-16-5-3-4-6-17(16)15-24-12-11-23(10-9-21(24)25)14-18-7-8-19(26-2)13-20(18)22/h3-8,13H,9-12,14-15H2,1-2H3/p+1