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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-3-(4-methylphenyl)sulfonyl-quinoline Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-3-(p-tolylsulfonyl)quinoline CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-3-(4-methylphenyl)sulfonylquinoline IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-3-(4-methylphenyl)sulfonylquinoline Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-3-tosyl-quinoline Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC=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+1