tert-butyl 4-[(7-oxidanylisoquinolin-8-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(7-oxidanylisoquinolin-8-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(7-hydroxy-8-isoquinolyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(7-hydroxy-8-isoquinolinyl)methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(7-hydroxyisoquinolin-8-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(7-hydroxy-8-isoquinolyl)methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC2=C(C=CC3=C2C=NC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC2=C(C=CC3=C2C=NC=C3)O

InChI

InChI=1S/C19H25N3O3/c1-19(2,3)25-18(24)22-10-8-21(9-11-22)13-16-15-12-20-7-6-14(15)4-5-17(16)23/h4-7,12,23H,8-11,13H2,1-3H3/p+1