N-[2,6-bis(fluoranyl)phenyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-[2,6-bis(fluoranyl)phenyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: N-(2,6-difluorophenyl)-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-(2,6-difluorophenyl)-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-(2,6-difluorophenyl)-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: N-(2,6-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=C(C=CC=C2F)F

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NC2=C(C=CC=C2F)F

InChI

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