3-carboxy-4-[3-(dimethylazaniumyl)propylamino]quinoline-6-carboxylate

Systemtic Name: 3-carboxy-4-[3-(dimethylazaniumyl)propylamino]quinoline-6-carboxylate Openeye Name: 3-carboxy-4-[3-(dimethylammonio)propylamino]quinoline-6-carboxylate CAS Name: 3-carboxy-4-[3-(dimethylammonio)propylamino]-6-quinolinecarboxylate IUPAC Name: 3-carboxy-4-[3-(dimethylazaniumyl)propylamino]quinoline-6-carboxylate Traditional Name: 3-carboxy-4-[3-(dimethylammonio)propylamino]quinoline-6-carboxylate Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=C2C=C(C=CC2=NC=C1C(=O)O)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCNC1=C2C=C(C=CC2=NC=C1C(=O)O)C(=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-19(2)7-3-6-17-14-11-8-10(15(20)21)4-5-13(11)18-9-12(14)16(22)23/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)(H,20,21)(H,22,23)