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

Systemtic Name: 6-chloranyl-4-(4-ethylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)sulfonyl-quinolin-1-ium Openeye Name: 6-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)sulfonyl-quinolin-1-ium CAS Name: 6-chloro-4-(4-ethyl-1-piperazin-4-iumyl)-3-(4-fluorophenyl)sulfonylquinolin-1-ium IUPAC Name: 6-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)sulfonylquinolin-1-ium Traditional Name: 6-chloro-4-(4-ethylpiperazin-4-ium-1-yl)-3-(4-fluorophenyl)sulfonyl-quinolin-1-ium Formula: C21H23ClFN3O2S+2 MolecularWeight: 435.942623

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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=C(C=C4)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN3O2S/c1-2-25-9-11-26(12-10-25)21-18-13-15(22)3-8-19(18)24-14-20(21)29(27,28)17-6-4-16(23)5-7-17/h3-8,13-14H,2,9-12H2,1H3/p+2