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

Systemtic Name: 6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-methoxy-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-besyl-6-methoxy-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C21H25N3O3S+2 MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-23-10-12-24(13-11-23)21-18-14-16(27-2)8-9-19(18)22-15-20(21)28(25,26)17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3/p+2