methyl (2S,4R)-4-acetamido-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-acetamido-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-acetamido-1-[(4-isopropylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-acetamido-1-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-acetamido-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-acetamido-1-(4-isopropylbenzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-12(2)15-7-5-14(6-8-15)10-20-11-16(19-13(3)21)9-17(20)18(22)23-4/h5-8,12,16-17H,9-11H2,1-4H3,(H,19,21)/p+1/t16-,17+/m1/s1