tert-butyl 4-(8-azanylisoquinolin-2-ium-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(8-azanylisoquinolin-2-ium-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(8-aminoisoquinolin-2-ium-5-yl)piperazine-1-carboxylate CAS Name: 4-(8-amino-5-isoquinolin-2-iumyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(8-aminoisoquinolin-2-ium-5-yl)piperazine-1-carboxylate Traditional Name: 4-(8-aminoisoquinolin-2-ium-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=C[NH+]=CC3=C(C=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=C[NH+]=CC3=C(C=C2)N

InChI

InChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)22-10-8-21(9-11-22)16-5-4-15(19)14-12-20-7-6-13(14)16/h4-7,12H,8-11,19H2,1-3H3/p+1