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

Systemtic Name: 6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-3-(4-methylphenyl)sulfonyl-quinoline Openeye Name: 6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-3-(p-tolylsulfonyl)quinoline CAS Name: 6-ethoxy-4-(4-ethyl-1-piperazin-4-iumyl)-3-(4-methylphenyl)sulfonylquinoline IUPAC Name: 6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-3-(4-methylphenyl)sulfonylquinoline Traditional Name: 6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-3-tosyl-quinoline Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S/c1-4-26-12-14-27(15-13-26)24-21-16-19(30-5-2)8-11-22(21)25-17-23(24)31(28,29)20-9-6-18(3)7-10-20/h6-11,16-17H,4-5,12-15H2,1-3H3/p+1