N-[3,4-bis(fluoranyl)phenyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-(3,4-difluorophenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-(3,4-difluorophenyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-(3,4-difluorophenyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(3,4-difluorophenyl)-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C13H18F2N3O3S+ MolecularWeight: 334.362126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NC2=CC(=C(C=C2)F)F

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C13H17F2N3O3S/c14-11-2-1-10(9-12(11)15)17-13(19)3-8-22(20,21)18-6-4-16-5-7-18/h1-2,9,16H,3-8H2,(H,17,19)/p+1