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

Systemtic Name: 6-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-chloro-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-chloro-4-(4-ethyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-chloro-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-besyl-6-chloro-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C21H24ClN3O2S+2 MolecularWeight: 417.95216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-2-24-10-12-25(13-11-24)21-18-14-16(22)8-9-19(18)23-15-20(21)28(26,27)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13H2,1H3/p+2