(5-bromanylthiophen-2-yl)methyl-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(3-fluoroanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(3-fluoroanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(3-fluoroanilino)-2-keto-ethyl]ammonium Formula: C16H17BrFN2OS+ MolecularWeight: 384.286383

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Br)CC(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C16H16BrFN2OS/c1-2-8-20(10-14-6-7-15(17)22-14)11-16(21)19-13-5-3-4-12(18)9-13/h2-7,9H,1,8,10-11H2,(H,19,21)/p+1