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

Systemtic Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Openeye Name: 6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolylsulfonyl)quinoline CAS Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methyl-1-piperazin-4-iumyl)quinoline IUPAC Name: 6-ethoxy-3-(4-methylphenyl)sulfonyl-4-(4-methylpiperazin-4-ium-1-yl)quinoline Traditional Name: 6-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)-3-tosyl-quinoline Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC2=C(C(=CN=C2C=C1)S(=O)(=O)C3=CC=C(C=C3)C)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N3O3S/c1-4-29-18-7-10-21-20(15-18)23(26-13-11-25(3)12-14-26)22(16-24-21)30(27,28)19-8-5-17(2)6-9-19/h5-10,15-16H,4,11-14H2,1-3H3/p+1