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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)quinoline Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)quinoline CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-ethyl-1-piperazin-4-iumyl)quinoline IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)quinoline Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)quinoline Formula: C25H32N3O2S+ MolecularWeight: 438.60548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CC[NH+](CC4)CC

Isomeric SMILES

CCC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC(=C(C=C3)C)C)N4CC[NH+](CC4)CC

InChI

InChI=1S/C25H31N3O2S/c1-5-20-8-10-23-22(16-20)25(28-13-11-27(6-2)12-14-28)24(17-26-23)31(29,30)21-9-7-18(3)19(4)15-21/h7-10,15-17H,5-6,11-14H2,1-4H3/p+1