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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl]-allyl-[(5-bromo-2-thienyl)methyl]ammonium CAS Name: [2-(3-acetylanilino)-2-oxoethyl]-[(5-bromo-2-thiophenyl)methyl]-prop-2-enylammonium IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl]-[(5-bromothiophen-2-yl)methyl]-prop-2-enylazanium Traditional Name: [2-(3-acetylanilino)-2-keto-ethyl]-allyl-[(5-bromo-2-thienyl)methyl]ammonium Formula: C18H20BrN2O2S+ MolecularWeight: 408.3326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O2S/c1-3-9-21(11-16-7-8-17(19)24-16)12-18(23)20-15-6-4-5-14(10-15)13(2)22/h3-8,10H,1,9,11-12H2,2H3,(H,20,23)/p+1