1-(4-bromophenyl)-2-[(phenylmethyl)-pyridin-1-ium-2-yl-amino]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[(phenylmethyl)-pyridin-1-ium-2-yl-amino]ethanone Openeye Name: 2-[benzyl(pyridin-1-ium-2-yl)amino]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[(phenylmethyl)-(2-pyridin-1-iumyl)amino]ethanone IUPAC Name: 2-[benzyl(pyridin-1-ium-2-yl)amino]-1-(4-bromophenyl)ethanone Traditional Name: 2-[benzyl(pyridin-1-ium-2-yl)amino]-1-(4-bromophenyl)ethanone Formula: C20H18BrN2O+ MolecularWeight: 382.27372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C(C=C1)CN(CC(=O)C2=CC=C(C=C2)Br)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H17BrN2O/c21-18-11-9-17(10-12-18)19(24)15-23(20-8-4-5-13-22-20)14-16-6-2-1-3-7-16/h1-13H,14-15H2/p+1