(2S)-2-azaniumyl-3-[3-[(diethylazaniumyl)methyl]-2-oxidanylidene-1H-quinolin-6-yl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[3-[(diethylazaniumyl)methyl]-2-oxidanylidene-1H-quinolin-6-yl]propanoate Openeye Name: (2S)-2-azaniumyl-3-[3-[(diethylammonio)methyl]-2-oxo-1H-quinolin-6-yl]propanoate CAS Name: (2S)-2-ammonio-3-[3-[(diethylammonio)methyl]-2-oxo-1H-quinolin-6-yl]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[3-[(diethylazaniumyl)methyl]-2-oxo-1H-quinolin-6-yl]propanoate Traditional Name: (2S)-2-ammonio-3-[3-[(diethylammonio)methyl]-2-keto-1H-quinolin-6-yl]propionate Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC2=C(C=CC(=C2)CC(C(=O)[O-])[NH3+])NC1=O

Isomeric SMILES

CC[NH+](CC)CC1=CC2=C(C=CC(=C2)C[C@@H](C(=O)[O-])[NH3+])NC1=O

InChI

InChI=1S/C17H23N3O3/c1-3-20(4-2)10-13-9-12-7-11(8-14(18)17(22)23)5-6-15(12)19-16(13)21/h5-7,9,14H,3-4,8,10,18H2,1-2H3,(H,19,21)(H,22,23)/p+1/t14-/m0/s1