[1,2-dimethyl-7-(phenylcarbonyloxy)isoquinolin-2-ium-6-yl] benzoate

Systemtic Name: [1,2-dimethyl-7-(phenylcarbonyloxy)isoquinolin-2-ium-6-yl] benzoate Openeye Name: (7-benzoyloxy-1,2-dimethyl-isoquinolin-2-ium-6-yl) benzoate CAS Name: benzoic acid (7-benzoyloxy-1,2-dimethyl-6-isoquinolin-2-iumyl) ester IUPAC Name: (7-benzoyloxy-1,2-dimethylisoquinolin-2-ium-6-yl) benzoate Traditional Name: benzoic acid (7-benzoyloxy-1,2-dimethyl-isoquinolin-2-ium-6-yl) ester Formula: C25H20NO4+ MolecularWeight: 398.4306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=CC(=C(C=C12)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=[N+](C=CC2=CC(=C(C=C12)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H20NO4/c1-17-21-16-23(30-25(28)19-11-7-4-8-12-19)22(15-20(21)13-14-26(17)2)29-24(27)18-9-5-3-6-10-18/h3-16H,1-2H3/q+1