(5-bromanylthiophen-2-yl)methyl-[2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[[3-(ethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-[3-(ethylcarbamoyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-[3-(ethylcarbamoyl)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C17H21BrN3O2S+ MolecularWeight: 411.33654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrN3O2S/c1-3-19-17(23)12-5-4-6-13(9-12)20-16(22)11-21(2)10-14-7-8-15(18)24-14/h4-9H,3,10-11H2,1-2H3,(H,19,23)(H,20,22)/p+1