methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methylpropanoylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methylpropanoylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methylpropanoylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-[(2-methyl-1-oxopropyl)amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methylpropanoylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(2-ethoxybenzyl)-4-(isobutyrylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CC(CC2C(=O)OC)NC(=O)C(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C(C)C

InChI

InChI=1S/C19H28N2O4/c1-5-25-17-9-7-6-8-14(17)11-21-12-15(20-18(22)13(2)3)10-16(21)19(23)24-4/h6-9,13,15-16H,5,10-12H2,1-4H3,(H,20,22)/p+1/t15-,16+/m1/s1