4-fluoranyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]benzamide

Systemtic Name: 4-fluoranyl-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]benzamide Openeye Name: 4-fluoro-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]benzamide CAS Name: 4-fluoro-N-[(Z)-1-[4-(1-piperazin-4-iumylsulfonyl)phenyl]ethylideneamino]benzamide IUPAC Name: 4-fluoro-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]benzamide Traditional Name: 4-fluoro-N-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]benzamide Formula: C19H22FN4O3S+ MolecularWeight: 405.466383

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=C(C=C1)F)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

Isomeric SMILES

C/C(=N/NC(=O)C1=CC=C(C=C1)F)/C2=CC=C(C=C2)S(=O)(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C19H21FN4O3S/c1-14(22-23-19(25)16-2-6-17(20)7-3-16)15-4-8-18(9-5-15)28(26,27)24-12-10-21-11-13-24/h2-9,21H,10-13H2,1H3,(H,23,25)/p+1/b22-14-