6,7-dimethoxy-3,3-dimethyl-N-(1H-1,2,4-triazol-4-ium-4-yl)-4H-isoquinolin-1-amine

Systemtic Name: 6,7-dimethoxy-3,3-dimethyl-N-(1H-1,2,4-triazol-4-ium-4-yl)-4H-isoquinolin-1-amine Openeye Name: 6,7-dimethoxy-3,3-dimethyl-N-(1H-1,2,4-triazol-4-ium-4-yl)-4H-isoquinolin-1-amine CAS Name: 6,7-dimethoxy-3,3-dimethyl-N-(1H-1,2,4-triazol-4-ium-4-yl)-4H-isoquinolin-1-amine IUPAC Name: 6,7-dimethoxy-3,3-dimethyl-N-(1H-1,2,4-triazol-4-ium-4-yl)-4H-isoquinolin-1-amine Traditional Name: (6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)-(1H-1,2,4-triazol-4-ium-4-yl)amine Formula: C15H20N5O2+ MolecularWeight: 302.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C=C2C(=N1)N[N+]3=CNN=C3)OC)OC)C

Isomeric SMILES

CC1(CC2=CC(=C(C=C2C(=N1)N[N+]3=CNN=C3)OC)OC)C

InChI

InChI=1S/C15H19N5O2/c1-15(2)7-10-5-12(21-3)13(22-4)6-11(10)14(18-15)19-20-8-16-17-9-20/h5-6,8-9H,7H2,1-4H3,(H,18,19)/p+1