6,7-dimethoxy-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[[4-(1-pyrazolyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(4-pyrazol-1-ylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-(4-pyrazol-1-ylbenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)N4C=CC=N4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC=C(C=C3)N4C=CC=N4)OC

InChI

InChI=1S/C21H23N3O2/c1-25-20-12-17-8-11-23(15-18(17)13-21(20)26-2)14-16-4-6-19(7-5-16)24-10-3-9-22-24/h3-7,9-10,12-13H,8,11,14-15H2,1-2H3/p+1