2-[[3-carboxy-7,8-bis(chloranyl)quinolin-4-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[3-carboxy-7,8-bis(chloranyl)quinolin-4-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-carboxy-7,8-dichloro-4-quinolyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(3-carboxy-7,8-dichloro-4-quinolinyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-carboxy-7,8-dichloroquinolin-4-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(3-carboxy-7,8-dichloro-4-quinolyl)amino]ethyl-dimethyl-ammonium Formula: C14H16Cl2N3O2+ MolecularWeight: 329.20174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=C2C=CC(=C(C2=NC=C1C(=O)O)Cl)Cl

Isomeric SMILES

C[NH+](C)CCNC1=C2C=CC(=C(C2=NC=C1C(=O)O)Cl)Cl

InChI

InChI=1S/C14H15Cl2N3O2/c1-19(2)6-5-17-12-8-3-4-10(15)11(16)13(8)18-7-9(12)14(20)21/h3-4,7H,5-6H2,1-2H3,(H,17,18)(H,20,21)/p+1