4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methyl-quinolin-1-ium

Systemtic Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methyl-quinolin-1-ium Openeye Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methyl-quinolin-1-ium CAS Name: 4-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-2-methylquinolin-1-ium IUPAC Name: 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylquinolin-1-ium Traditional Name: 4-(4-brosylpiperazino)-2-methyl-quinolin-1-ium Formula: C20H21BrN3O2S+ MolecularWeight: 447.36864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-15-14-20(18-4-2-3-5-19(18)22-15)23-10-12-24(13-11-23)27(25,26)17-8-6-16(21)7-9-17/h2-9,14H,10-13H2,1H3/p+1