3-[4-[(E)-(2-chlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propan-1-ol bromide

Systemtic Name: 3-[4-[(E)-(2-chlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propan-1-ol bromide Openeye Name: 3-[4-[(E)-(2-chlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propan-1-ol bromide CAS Name: 3-[4-[(E)-(2-chlorophenyl)methoxyiminomethyl]-1-pyridin-1-iumyl]-1-propanol bromide IUPAC Name: 3-[4-[(E)-(2-chlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propan-1-ol bromide Traditional Name: 3-[4-[(E)-(2-chlorobenzyl)oximinomethyl]pyridin-1-ium-1-yl]propan-1-ol bromide Formula: C16H18BrClN2O2 MolecularWeight: 385.68332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CON=CC2=CC=[N+](C=C2)CCCO)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C(=C1)CO/N=C/C2=CC=[N+](C=C2)CCCO)Cl.[Br-]

InChI

InChI=1S/C16H18ClN2O2.BrH/c17-16-5-2-1-4-15(16)13-21-18-12-14-6-9-19(10-7-14)8-3-11-20;/h1-2,4-7,9-10,12,20H,3,8,11,13H2;1H/q+1;/p-1/b18-12+;