2-[4-fluoranyl-3-(4-methanoylpiperazin-1-yl)sulfonyl-phenyl]ethylazanium

Systemtic Name: 2-[4-fluoranyl-3-(4-methanoylpiperazin-1-yl)sulfonyl-phenyl]ethylazanium Openeye Name: 2-[4-fluoro-3-(4-formylpiperazin-1-yl)sulfonyl-phenyl]ethylammonium CAS Name: 2-[4-fluoro-3-[(4-formyl-1-piperazinyl)sulfonyl]phenyl]ethylammonium IUPAC Name: 2-[4-fluoro-3-(4-formylpiperazin-1-yl)sulfonylphenyl]ethylazanium Traditional Name: 2-[4-fluoro-3-(4-formylpiperazino)sulfonyl-phenyl]ethylammonium Formula: C13H19FN3O3S+ MolecularWeight: 316.371663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)S(=O)(=O)C2=C(C=CC(=C2)CC[NH3+])F

Isomeric SMILES

C1CN(CCN1C=O)S(=O)(=O)C2=C(C=CC(=C2)CC[NH3+])F

InChI

InChI=1S/C13H18FN3O3S/c14-12-2-1-11(3-4-15)9-13(12)21(19,20)17-7-5-16(10-18)6-8-17/h1-2,9-10H,3-8,15H2/p+1