methyl (2S,4S)-4-(furan-2-ylcarbonylamino)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(furan-2-ylcarbonylamino)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(furan-2-carbonylamino)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[2-furanyl(oxo)methyl]amino]-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(furan-2-carbonylamino)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-furoylamino)-1-(4-methoxy-2,3-dimethyl-benzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H27N2O5+ MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H26N2O5/c1-13-14(2)18(26-3)8-7-15(13)11-23-12-16(10-17(23)21(25)27-4)22-20(24)19-6-5-9-28-19/h5-9,16-17H,10-12H2,1-4H3,(H,22,24)/p+1/t16-,17-/m0/s1