(E)-2-diazonio-1-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethenolate

Systemtic Name: (E)-2-diazonio-1-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethenolate Openeye Name: (E)-1-[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-diazonio-ethenolate CAS Name: (E)-2-diazonio-1-[(3S)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethenolate IUPAC Name: (E)-2-diazonio-1-[(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-3-yl]ethenolate Traditional Name: (E)-1-[(3S)-2-tert-butoxycarbonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-diazonio-ethenolate Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=C[N+]#N)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C[C@H]1/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C16H19N3O3/c1-16(2,3)22-15(21)19-10-12-7-5-4-6-11(12)8-13(19)14(20)9-18-17/h4-7,9,13H,8,10H2,1-3H3/b14-9+/t13-/m0/s1