ethyl 7,8-bis(chloranyl)-4-(pyridin-1-ium-3-ylmethylamino)quinoline-3-carboxylate

Systemtic Name: ethyl 7,8-bis(chloranyl)-4-(pyridin-1-ium-3-ylmethylamino)quinoline-3-carboxylate Openeye Name: ethyl 7,8-dichloro-4-(pyridin-1-ium-3-ylmethylamino)quinoline-3-carboxylate CAS Name: 7,8-dichloro-4-(3-pyridin-1-iumylmethylamino)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dichloro-4-(pyridin-1-ium-3-ylmethylamino)quinoline-3-carboxylate Traditional Name: 7,8-dichloro-4-(pyridin-1-ium-3-ylmethylamino)quinoline-3-carboxylic acid ethyl ester Formula: C18H16Cl2N3O2+ MolecularWeight: 377.24454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NCC3=C[NH+]=CC=C3)C=CC(=C2Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NCC3=C[NH+]=CC=C3)C=CC(=C2Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O2/c1-2-25-18(24)13-10-23-17-12(5-6-14(19)15(17)20)16(13)22-9-11-4-3-7-21-8-11/h3-8,10H,2,9H2,1H3,(H,22,23)/p+1