(2S)-1-[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-[methyl-[2-(4-pyridyl)ethyl]ammonio]acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-[methyl(2-pyridin-4-ylethyl)ammonio]-1-oxoethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-[methyl(2-pyridin-4-ylethyl)azaniumyl]acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[methyl-[2-(4-pyridyl)ethyl]ammonio]acetyl]pyrrolidine-2-carboxylate Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=NC=C1)CC(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=NC=C1)CC(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C15H21N3O3/c1-17(10-6-12-4-7-16-8-5-12)11-14(19)18-9-2-3-13(18)15(20)21/h4-5,7-8,13H,2-3,6,9-11H2,1H3,(H,20,21)/t13-/m0/s1