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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-17(2,16(23)20-11-4-5-14(20)15(21)22)19(3)12-8-13-6-9-18-10-7-13/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,21,22)/t14-/m0/s1