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

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-(4-ethyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-besyl-4-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C21H25N3O2S+2 MolecularWeight: 383.5071

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-2-23-12-14-24(15-13-23)21-18-10-6-7-11-19(18)22-16-20(21)27(25,26)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3/p+2