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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinoline Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinoline CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-(4-ethyl-1-piperazin-4-iumyl)quinoline IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinoline Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinoline Formula: C25H32N3O3S+ MolecularWeight: 454.60488

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c1-5-27-11-13-28(14-12-27)25-22-16-20(31-6-2)8-10-23(22)26-17-24(25)32(29,30)21-9-7-18(3)19(4)15-21/h7-10,15-17H,5-6,11-14H2,1-4H3/p+1