7-chloranyl-4-hexoxy-1-(phenylmethyl)quinolin-1-ium bromide

Systemtic Name: 7-chloranyl-4-hexoxy-1-(phenylmethyl)quinolin-1-ium bromide Openeye Name: 1-benzyl-7-chloro-4-hexoxy-quinolin-1-ium bromide CAS Name: 7-chloro-4-hexoxy-1-(phenylmethyl)quinolin-1-ium bromide IUPAC Name: 1-benzyl-7-chloro-4-hexoxyquinolin-1-ium bromide Traditional Name: 1-benzyl-7-chloro-4-hexoxy-quinolin-1-ium bromide Formula: C22H25BrClNO MolecularWeight: 434.797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C2C=CC(=CC2=[N+](C=C1)CC3=CC=CC=C3)Cl.[Br-]

Isomeric SMILES

CCCCCCOC1=C2C=CC(=CC2=[N+](C=C1)CC3=CC=CC=C3)Cl.[Br-]

InChI

InChI=1S/C22H25ClNO.BrH/c1-2-3-4-8-15-25-22-13-14-24(17-18-9-6-5-7-10-18)21-16-19(23)11-12-20(21)22;/h5-7,9-14,16H,2-4,8,15,17H2,1H3;1H/q+1;/p-1