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

Systemtic Name: [4-fluoranyl-3-(4-methanoylpiperazin-1-yl)sulfonyl-phenyl]methylazanium Openeye Name: [4-fluoro-3-(4-formylpiperazin-1-yl)sulfonyl-phenyl]methylammonium CAS Name: [4-fluoro-3-[(4-formyl-1-piperazinyl)sulfonyl]phenyl]methylammonium IUPAC Name: [4-fluoro-3-(4-formylpiperazin-1-yl)sulfonylphenyl]methylazanium Traditional Name: [4-fluoro-3-(4-formylpiperazino)sulfonyl-benzyl]ammonium Formula: C12H17FN3O3S+ MolecularWeight: 302.345083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16FN3O3S/c13-11-2-1-10(8-14)7-12(11)20(18,19)16-5-3-15(9-17)4-6-16/h1-2,7,9H,3-6,8,14H2/p+1