methyl (2S,4S)-4-[3-(4-methylphenyl)propanoylamino]-1-propan-2-yl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[3-(4-methylphenyl)propanoylamino]-1-propan-2-yl-pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-isopropyl-4-[3-(p-tolyl)propanoylamino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[3-(4-methylphenyl)-1-oxopropyl]amino]-1-propan-2-yl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[3-(4-methylphenyl)propanoylamino]-1-propan-2-ylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-isopropyl-4-[3-(p-tolyl)propanoylamino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C19H29N2O3+ MolecularWeight: 333.44516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC2CC([NH+](C2)C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)N[C@H]2C[C@H]([NH+](C2)C(C)C)C(=O)OC

InChI

InChI=1S/C19H28N2O3/c1-13(2)21-12-16(11-17(21)19(23)24-4)20-18(22)10-9-15-7-5-14(3)6-8-15/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,22)/p+1/t16-,17-/m0/s1