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

Systemtic Name: ethyl 4-[(7-oxidanylisoquinolin-8-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(7-hydroxy-8-isoquinolyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(7-hydroxy-8-isoquinolinyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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