2-butyl-6,7-dimethoxy-4-phenyl-isoquinolin-2-ium

Systemtic Name: 2-butyl-6,7-dimethoxy-4-phenyl-isoquinolin-2-ium Openeye Name: 2-butyl-6,7-dimethoxy-4-phenyl-isoquinolin-2-ium CAS Name: 2-butyl-6,7-dimethoxy-4-phenylisoquinolin-2-ium IUPAC Name: 2-butyl-6,7-dimethoxy-4-phenylisoquinolin-2-ium Traditional Name: 2-butyl-6,7-dimethoxy-4-phenyl-isoquinolin-2-ium Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC2=CC(=C(C=C2C(=C1)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CCCC[N+]1=CC2=CC(=C(C=C2C(=C1)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H24NO2/c1-4-5-11-22-14-17-12-20(23-2)21(24-3)13-18(17)19(15-22)16-9-7-6-8-10-16/h6-10,12-15H,4-5,11H2,1-3H3/q+1