ethyl 4-[(8-oxidanylquinolin-5-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(8-oxidanylquinolin-5-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(8-hydroxy-5-quinolyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(8-hydroxy-5-quinolinyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(8-hydroxyquinolin-5-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(8-hydroxy-5-quinolyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C3C=CC=NC3=C(C=C2)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C3C=CC=NC3=C(C=C2)O

InChI

InChI=1S/C17H21N3O3/c1-2-23-17(22)20-10-8-19(9-11-20)12-13-5-6-15(21)16-14(13)4-3-7-18-16/h3-7,21H,2,8-12H2,1H3/p+1