(5-bromanylthiophen-2-yl)methyl-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]ammonium Formula: C17H19BrFN2OS+ MolecularWeight: 398.312963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br)F

InChI

InChI=1S/C17H18BrFN2OS/c1-3-8-21(10-13-5-7-16(18)23-13)11-17(22)20-15-6-4-12(2)9-14(15)19/h3-7,9H,1,8,10-11H2,2H3,(H,20,22)/p+1