(2S)-1-[3-[methyl(2-pyridin-4-ylethyl)azaniumyl]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[3-[methyl(2-pyridin-4-ylethyl)azaniumyl]propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[3-[methyl-[2-(4-pyridyl)ethyl]ammonio]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-[methyl(2-pyridin-4-ylethyl)ammonio]-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[3-[methyl(2-pyridin-4-ylethyl)azaniumyl]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-[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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3/c1-18(11-6-13-4-8-17-9-5-13)12-7-15(20)19-10-2-3-14(19)16(21)22/h4-5,8-9,14H,2-3,6-7,10-12H2,1H3,(H,21,22)/t14-/m0/s1