6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-pyrazol-1-id-3-yl-isoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-pyrazol-1-id-3-yl-isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-pyrazol-1-id-3-yl-isoquinolin-2-ium CAS Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-(3-pyrazol-1-idyl)isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-pyrazol-1-id-3-ylisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-pyrazol-1-id-3-yl-isoquinolin-2-ium Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=N[N-]C=C3)C4=CC=C(C=C4)OC)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=N[N-]C=C3)C4=CC=C(C=C4)OC)OC)OC

InChI

InChI=1S/C22H21N3O3/c1-14-11-16-12-19(27-3)20(28-4)13-18(16)22(25(14)21-9-10-23-24-21)15-5-7-17(26-2)8-6-15/h5-13H,1-4H3