2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)propan-1-one bromide

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)propan-1-one bromide Openeye Name: 2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)propan-1-one bromide CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-pyridin-1-iumyl]-1-(4-methoxyphenyl)-1-propanone bromide IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)propan-1-one bromide Traditional Name: 2-[4-(4-chlorobenzyl)pyridin-1-ium-1-yl]-1-(4-methoxyphenyl)propan-1-one bromide Formula: C22H21BrClNO2 MolecularWeight: 446.76464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC)[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C22H21ClNO2.BrH/c1-16(22(25)19-5-9-21(26-2)10-6-19)24-13-11-18(12-14-24)15-17-3-7-20(23)8-4-17;/h3-14,16H,15H2,1-2H3;1H/q+1;/p-1