4-[(3-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-(1-naphthylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-(1-naphthalenylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(3-fluorobenzyl)-1-(1-naphthylmethyl)-1,4-diazepan-1-ium-5-one Formula: C23H24FN2O+ MolecularWeight: 363.447863

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC(=CC=C2)F)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC(=CC=C2)F)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H23FN2O/c24-21-9-3-5-18(15-21)16-26-14-13-25(12-11-23(26)27)17-20-8-4-7-19-6-1-2-10-22(19)20/h1-10,15H,11-14,16-17H2/p+1