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

Systemtic Name: cyclohexylmethyl-[2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclohexylmethyl-[2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methyl-2-thienyl]amino]-2-oxo-ethyl]ammonium CAS Name: cyclohexylmethyl-[2-[[5-[diethylamino(oxo)methyl]-3-ethoxycarbonyl-4-methyl-2-thiophenyl]amino]-2-oxoethyl]ammonium IUPAC Name: cyclohexylmethyl-[2-[[5-(diethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: [2-[[3-carbethoxy-5-(diethylcarbamoyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl]-(cyclohexylmethyl)ammonium Formula: C22H36N3O4S+ MolecularWeight: 438.60394

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C[NH2+]CC2CCCCC2)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C[NH2+]CC2CCCCC2)C(=O)OCC)C

InChI

InChI=1S/C22H35N3O4S/c1-5-25(6-2)21(27)19-15(4)18(22(28)29-7-3)20(30-19)24-17(26)14-23-13-16-11-9-8-10-12-16/h16,23H,5-14H2,1-4H3,(H,24,26)/p+1