2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-11-17(21(22)23)12(2)20(18-11)10-19-6-5-13-7-15(24-3)16(25-4)8-14(13)9-19/h7-8H,5-6,9-10H2,1-4H3/p+1