[5-[2-(diethylazaniumyl)ethanoylamino]-4-ethoxycarbonyl-3-phenyl-thiophen-2-yl]methyl-dimethyl-azanium

Systemtic Name: [5-[2-(diethylazaniumyl)ethanoylamino]-4-ethoxycarbonyl-3-phenyl-thiophen-2-yl]methyl-dimethyl-azanium Openeye Name: [5-[[2-(diethylammonio)acetyl]amino]-4-ethoxycarbonyl-3-phenyl-2-thienyl]methyl-dimethyl-ammonium CAS Name: [5-[[2-(diethylammonio)-1-oxoethyl]amino]-4-ethoxycarbonyl-3-phenyl-2-thiophenyl]methyl-dimethylammonium IUPAC Name: [5-[[2-(diethylazaniumyl)acetyl]amino]-4-ethoxycarbonyl-3-phenylthiophen-2-yl]methyl-dimethylazanium Traditional Name: [4-carbethoxy-5-[[2-(diethylammonio)acetyl]amino]-3-phenyl-2-thienyl]methyl-dimethyl-ammonium Formula: C22H33N3O3S+2 MolecularWeight: 419.58072

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)NC1=C(C(=C(S1)C[NH+](C)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC(=O)NC1=C(C(=C(S1)C[NH+](C)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H31N3O3S/c1-6-25(7-2)15-18(26)23-21-20(22(27)28-8-3)19(16-12-10-9-11-13-16)17(29-21)14-24(4)5/h9-13H,6-8,14-15H2,1-5H3,(H,23,26)/p+2