4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-3-tosyl-quinolin-1-ium Formula: C23H29N3O2S+2 MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C23H27N3O2S/c1-4-25-11-13-26(14-12-25)23-20-15-18(3)7-10-21(20)24-16-22(23)29(27,28)19-8-5-17(2)6-9-19/h5-10,15-16H,4,11-14H2,1-3H3/p+2