6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-ethoxy-4-(4-ethyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-besyl-6-ethoxy-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C23H29N3O3S+2 MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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