8-[4-(2,6-dimethylpyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-3-methyl-quinoline

Systemtic Name: 8-[4-(2,6-dimethylpyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-3-methyl-quinoline Openeye Name: 8-[4-(2,6-dimethylpyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-3-methyl-quinoline CAS Name: 8-[[4-(2,6-dimethyl-4-pyrimidin-3-iumyl)-1-piperazinyl]sulfonyl]-3-methylquinoline IUPAC Name: 8-[4-(2,6-dimethylpyrimidin-3-ium-4-yl)piperazin-1-yl]sulfonyl-3-methylquinoline Traditional Name: 8-[4-(2,6-dimethylpyrimidin-3-ium-4-yl)piperazino]sulfonyl-3-methyl-quinoline Formula: C20H24N5O2S+ MolecularWeight: 398.50186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

InChI

InChI=1S/C20H23N5O2S/c1-14-11-17-5-4-6-18(20(17)21-13-14)28(26,27)25-9-7-24(8-10-25)19-12-15(2)22-16(3)23-19/h4-6,11-13H,7-10H2,1-3H3/p+1