[2-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium

Systemtic Name: [2-[(5-aminocarbonyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Openeye Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium CAS Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: [2-[(5-carbamoyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium Traditional Name: [2-[(5-carbamoyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ammonium Formula: C18H30N4O4S+2 MolecularWeight: 398.5202

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[NH2+]CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC[C@@H]1C[NH2+]CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC

InChI

InChI=1S/C18H28N4O4S/c1-4-22-8-6-7-12(22)9-20-10-13(23)21-17-14(18(25)26-5-2)11(3)15(27-17)16(19)24/h12,20H,4-10H2,1-3H3,(H2,19,24)(H,21,23)/p+2/t12-/m1/s1