6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-ethyl-4-(4-ethyl-1-piperazin-4-iumyl)-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 6-ethyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-tosyl-quinolin-1-ium Formula: C24H31N3O2S+2 MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S/c1-4-19-8-11-22-21(16-19)24(27-14-12-26(5-2)13-15-27)23(17-25-22)30(28,29)20-9-6-18(3)7-10-20/h6-11,16-17H,4-5,12-15H2,1-3H3/p+2