[2-[(5-bromanyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium

Systemtic Name: [2-[(5-bromanyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-cyclohexyl-methyl-azanium Openeye Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-cyclohexyl-methyl-ammonium CAS Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-cyclohexyl-methylammonium IUPAC Name: [2-[(5-bromo-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-cyclohexyl-methylazanium Traditional Name: [2-[(5-bromo-3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-cyclohexyl-methyl-ammonium Formula: C22H28BrN2O3S+ MolecularWeight: 480.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)C[NH+](C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)C[NH+](C)C3CCCCC3

InChI

InChI=1S/C22H27BrN2O3S/c1-3-28-22(27)19-18(15-10-6-4-7-11-15)20(23)29-21(19)24-17(26)14-25(2)16-12-8-5-9-13-16/h4,6-7,10-11,16H,3,5,8-9,12-14H2,1-2H3,(H,24,26)/p+1