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

Systemtic Name: (2R)-1-[(2S)-2-[methyl(2-pyridin-4-ylethyl)azaniumyl]propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2S)-2-[methyl-[2-(4-pyridyl)ethyl]ammonio]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2S)-2-[methyl(2-pyridin-4-ylethyl)ammonio]-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2S)-2-[methyl(2-pyridin-4-ylethyl)azaniumyl]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-2-[methyl-[2-(4-pyridyl)ethyl]ammonio]propanoyl]pyrrolidine-2-carboxylate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)[O-])[NH+](C)CCC2=CC=NC=C2

Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])[NH+](C)CCC2=CC=NC=C2

InChI

InChI=1S/C16H23N3O3/c1-12(15(20)19-10-3-4-14(19)16(21)22)18(2)11-7-13-5-8-17-9-6-13/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H,21,22)/t12-,14+/m0/s1