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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-(4-methoxyanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-(4-methoxyanilino)-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[2-keto-2-(p-anisidino)ethyl]ammonium Formula: C17H20BrN2O2S+ MolecularWeight: 396.3219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Br

InChI

InChI=1S/C17H19BrN2O2S/c1-3-10-20(11-15-8-9-16(18)23-15)12-17(21)19-13-4-6-14(22-2)7-5-13/h3-9H,1,10-12H2,2H3,(H,19,21)/p+1