4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylbenzenesulfonamide

Systemtic Name: 4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylbenzenesulfonamide Openeye Name: 4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylbenzenesulfonamide CAS Name: 4-[[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]sulfonylbenzenesulfonamide Traditional Name: 4-[4-(2-methylquinolin-1-ium-4-yl)piperazino]sulfonylbenzenesulfonamide Formula: C20H23N4O4S2+ MolecularWeight: 447.55102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S2/c1-15-14-20(18-4-2-3-5-19(18)22-15)23-10-12-24(13-11-23)30(27,28)17-8-6-16(7-9-17)29(21,25)26/h2-9,14H,10-13H2,1H3,(H2,21,25,26)/p+1