2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5,8-dimethoxy-4-methyl-quinolin-1-ium

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5,8-dimethoxy-4-methyl-quinolin-1-ium Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5,8-dimethoxy-4-methyl-quinolin-1-ium CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-5,8-dimethoxy-4-methylquinolin-1-ium IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5,8-dimethoxy-4-methylquinolin-1-ium Traditional Name: 2-(4-brosylpiperazino)-5,8-dimethoxy-4-methyl-quinolin-1-ium Formula: C22H25BrN3O4S+ MolecularWeight: 507.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C(C=CC(=C12)OC)OC)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=[NH+]C2=C(C=CC(=C12)OC)OC)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3O4S/c1-15-14-20(24-22-19(30-3)9-8-18(29-2)21(15)22)25-10-12-26(13-11-25)31(27,28)17-6-4-16(23)5-7-17/h4-9,14H,10-13H2,1-3H3/p+1