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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-(4-ethyl-1-piperazin-4-iumyl)-6-methoxyquinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxyquinolin-1-ium Traditional Name: 3-besyl-4-(4-ethylpiperazin-4-ium-1-yl)-6-methoxy-quinolin-1-ium Formula: C22H27N3O3S+2 MolecularWeight: 413.53308

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-3-24-11-13-25(14-12-24)22-19-15-17(28-2)9-10-20(19)23-16-21(22)29(26,27)18-7-5-4-6-8-18/h4-10,15-16H,3,11-14H2,1-2H3/p+2