(2R)-2-azaniumyl-3-(3-cyano-2-pyrrolidin-1-yl-quinolin-6-yl)propanoate

Systemtic Name: (2R)-2-azaniumyl-3-(3-cyano-2-pyrrolidin-1-yl-quinolin-6-yl)propanoate Openeye Name: (2R)-2-azaniumyl-3-(3-cyano-2-pyrrolidin-1-yl-6-quinolyl)propanoate CAS Name: (2R)-2-ammonio-3-[3-cyano-2-(1-pyrrolidinyl)-6-quinolinyl]propanoate IUPAC Name: (2R)-2-azaniumyl-3-(3-cyano-2-pyrrolidin-1-ylquinolin-6-yl)propanoate Traditional Name: (2R)-2-ammonio-3-(3-cyano-2-pyrrolidino-6-quinolyl)propionate Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(C=C(C=C3)CC(C(=O)[O-])[NH3+])C=C2C#N

Isomeric SMILES

C1CCN(C1)C2=NC3=C(C=C(C=C3)C[C@H](C(=O)[O-])[NH3+])C=C2C#N

InChI

InChI=1S/C17H18N4O2/c18-10-13-9-12-7-11(8-14(19)17(22)23)3-4-15(12)20-16(13)21-5-1-2-6-21/h3-4,7,9,14H,1-2,5-6,8,19H2,(H,22,23)/t14-/m1/s1