1-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(4-fluorophenyl)methyl]-4-(o-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-(4-fluorobenzyl)-4-(2-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C20H24FN2O+ MolecularWeight: 327.415763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O/c1-16-4-2-3-5-18(16)15-23-13-12-22(11-10-20(23)24)14-17-6-8-19(21)9-7-17/h2-9H,10-15H2,1H3/p+1