ethyl 4-[(5-chloranyl-8-oxidanyl-quinolin-1-ium-7-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(5-chloranyl-8-oxidanyl-quinolin-1-ium-7-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(5-chloro-8-hydroxy-quinolin-1-ium-7-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(5-chloro-8-hydroxy-7-quinolin-1-iumyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-8-hydroxyquinolin-1-ium-7-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(5-chloro-8-hydroxy-quinolin-1-ium-7-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H22ClN3O3+2 MolecularWeight: 351.82788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C3C=CC=[NH+]C3=C2O)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C3C=CC=[NH+]C3=C2O)Cl

InChI

InChI=1S/C17H20ClN3O3/c1-2-24-17(23)21-8-6-20(7-9-21)11-12-10-14(18)13-4-3-5-19-15(13)16(12)22/h3-5,10,22H,2,6-9,11H2,1H3/p+2