(4-bromophenyl)methyl-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-bromophenyl)methyl-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-bromophenyl)methyl-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)-2-thiophenyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (4-bromophenyl)methyl-[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: (4-bromobenzyl)-[2-[[3-carbethoxy-4-methyl-5-(methylcarbamoyl)-2-thienyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C20H25BrN3O4S+ MolecularWeight: 483.3992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H24BrN3O4S/c1-5-28-20(27)16-12(2)17(18(26)22-3)29-19(16)23-15(25)11-24(4)10-13-6-8-14(21)9-7-13/h6-9H,5,10-11H2,1-4H3,(H,22,26)(H,23,25)/p+1