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

Systemtic Name: (2S)-1-[4-[methyl(2-pyridin-4-ylethyl)azaniumyl]butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-[methyl-[2-(4-pyridyl)ethyl]ammonio]butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-[methyl(2-pyridin-4-ylethyl)ammonio]-1-oxobutyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-[methyl(2-pyridin-4-ylethyl)azaniumyl]butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[methyl-[2-(4-pyridyl)ethyl]ammonio]butanoyl]pyrrolidine-2-carboxylate Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-19(13-8-14-6-9-18-10-7-14)11-3-5-16(21)20-12-2-4-15(20)17(22)23/h6-7,9-10,15H,2-5,8,11-13H2,1H3,(H,22,23)/t15-/m0/s1