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4-[cyclopropyl-[(2-fluorophenyl)methyl]azaniumyl]butane-1-sulfonate

4-[cyclopropyl-[(2-fluorophenyl)methyl]azaniumyl]butane-1-sulfonate

Systemtic Name:4-[cyclopropyl-[(2-fluorophenyl)methyl]azaniumyl]butane-1-sulfonate
Openeye Name:4-[cyclopropyl-[(2-fluorophenyl)methyl]ammonio]butane-1-sulfonate
CAS Name:4-[cyclopropyl-[(2-fluorophenyl)methyl]ammonio]-1-butanesulfonate
IUPAC Name:4-[cyclopropyl-[(2-fluorophenyl)methyl]azaniumyl]butane-1-sulfonate
Traditional Name:4-[cyclopropyl-(2-fluorobenzyl)ammonio]butane-1-sulfonate
Formula: C14H20FNO3S
MolecularWeight: 301.376903
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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CCCCS(=O)(=O)[O-])CC2=CC=CC=C2F


Isomeric SMILES

C1CC1[NH+](CCCCS(=O)(=O)[O-])CC2=CC=CC=C2F


InChI

InChI=1S/C14H20FNO3S/c15-14-6-2-1-5-12(14)11-16(13-7-8-13)9-3-4-10-20(17,18)19/h1-2,5-6,13H,3-4,7-11H2,(H,17,18,19)


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