methyl (2S,4R)-4-(2-methylpropanoylamino)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-(2-methylpropanoylamino)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-(2-methylpropanoylamino)-1-[(3-methyl-2-thienyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[(2-methyl-1-oxopropyl)amino]-1-[(3-methyl-2-thiophenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-(2-methylpropanoylamino)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(isobutyrylamino)-1-[(3-methyl-2-thienyl)methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C16H25N2O3S+ MolecularWeight: 325.4463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C(C)C

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C(C)C

InChI

InChI=1S/C16H24N2O3S/c1-10(2)15(19)17-12-7-13(16(20)21-4)18(8-12)9-14-11(3)5-6-22-14/h5-6,10,12-13H,7-9H2,1-4H3,(H,17,19)/p+1/t12-,13+/m1/s1