(2S)-2-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]carbonylamino]propanoate

Systemtic Name: (2S)-2-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]carbonylamino]propanoate Openeye Name: (2S)-2-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)benzoyl]amino]propanoate CAS Name: (2S)-2-[[oxo-[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]amino]propanoate IUPAC Name: (2S)-2-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[3-(2-pyrrolidin-1-ium-1-ylethoxy)benzoyl]amino]propionate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C1=CC(=CC=C1)OCC[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C1=CC(=CC=C1)OCC[NH+]2CCCC2

InChI

InChI=1S/C16H22N2O4/c1-12(16(20)21)17-15(19)13-5-4-6-14(11-13)22-10-9-18-7-2-3-8-18/h4-6,11-12H,2-3,7-10H2,1H3,(H,17,19)(H,20,21)/t12-/m0/s1