methyl 2-[[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-oxidanylidene-ethanoyl]amino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-oxidanylidene-ethanoyl]amino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-oxo-acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-1,2-dioxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-oxoacetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-2-keto-acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C19H28N3O6+ MolecularWeight: 394.44212

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C19H27N3O6/c1-5-22-8-6-7-12(22)11-20-17(23)18(24)21-14-10-16(27-3)15(26-2)9-13(14)19(25)28-4/h9-10,12H,5-8,11H2,1-4H3,(H,20,23)(H,21,24)/p+1/t12-/m0/s1