2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C15H19N4O2+ MolecularWeight: 287.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCC3=CC=CC=C3C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCC3=CC=CC=C3C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2/c1-11-15(19(20)21)12(2)18(16-11)10-17-8-7-13-5-3-4-6-14(13)9-17/h3-6H,7-10H2,1-2H3/p+1