(2R)-2-azaniumyl-3-[2-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[2-oxidanylidene-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propanoate Openeye Name: (2R)-2-azaniumyl-3-[2-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propanoate CAS Name: (2R)-2-ammonio-3-[2-oxo-3-(1-pyrrolidin-1-iumylmethyl)-1H-quinolin-6-yl]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[2-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propanoate Traditional Name: (2R)-2-ammonio-3-[2-keto-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinolin-6-yl]propionate Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC3=C(C=CC(=C3)CC(C(=O)[O-])[NH3+])NC2=O

Isomeric SMILES

C1CC[NH+](C1)CC2=CC3=C(C=CC(=C3)C[C@H](C(=O)[O-])[NH3+])NC2=O

InChI

InChI=1S/C17H21N3O3/c18-14(17(22)23)8-11-3-4-15-12(7-11)9-13(16(21)19-15)10-20-5-1-2-6-20/h3-4,7,9,14H,1-2,5-6,8,10,18H2,(H,19,21)(H,22,23)/p+1/t14-/m1/s1