3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium

Systemtic Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium Openeye Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-(3,4-dimethylphenyl)sulfonyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C23H29N3O2S+2 MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=[NH+]C3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C23H27N3O2S/c1-4-25-11-13-26(14-12-25)23-20-7-5-6-8-21(20)24-16-22(23)29(27,28)19-10-9-17(2)18(3)15-19/h5-10,15-16H,4,11-14H2,1-3H3/p+2