[2-(phenylcarbonyl)-7-(phenylcarbonyloxy)-1-propyl-3,4-dihydroisoquinolin-2-ium-6-yl] benzoate

Systemtic Name: [2-(phenylcarbonyl)-7-(phenylcarbonyloxy)-1-propyl-3,4-dihydroisoquinolin-2-ium-6-yl] benzoate Openeye Name: (2-benzoyl-7-benzoyloxy-1-propyl-3,4-dihydroisoquinolin-2-ium-6-yl) benzoate CAS Name: benzoic acid (2-benzoyl-7-benzoyloxy-1-propyl-3,4-dihydroisoquinolin-2-ium-6-yl) ester IUPAC Name: (2-benzoyl-7-benzoyloxy-1-propyl-3,4-dihydroisoquinolin-2-ium-6-yl) benzoate Traditional Name: benzoic acid (2-benzoyl-7-benzoyloxy-1-propyl-3,4-dihydroisoquinolin-2-ium-6-yl) ester Formula: C33H28NO5+ MolecularWeight: 518.57912

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](CCC2=CC(=C(C=C21)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCC1=[N+](CCC2=CC(=C(C=C21)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H28NO5/c1-2-12-28-27-22-30(39-33(37)25-17-10-5-11-18-25)29(38-32(36)24-15-8-4-9-16-24)21-26(27)19-20-34(28)31(35)23-13-6-3-7-14-23/h3-11,13-18,21-22H,2,12,19-20H2,1H3/q+1