(4-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) benzoate iodide

Systemtic Name: (4-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) benzoate iodide Openeye Name: (4-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) benzoate iodide CAS Name: benzoic acid (4-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) ester iodide IUPAC Name: (4-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) benzoate iodide Traditional Name: benzoic acid (4-methyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) ester iodide Formula: C19H19IN2O2 MolecularWeight: 434.27083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C[N+]3=C1C(CC3)OC(=O)C4=CC=CC=C4.[I-]

Isomeric SMILES

CN1C2=CC=CC=C2C[N+]3=C1C(CC3)OC(=O)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C19H19N2O2.HI/c1-20-16-10-6-5-9-15(16)13-21-12-11-17(18(20)21)23-19(22)14-7-3-2-4-8-14;/h2-10,17H,11-13H2,1H3;1H/q+1;/p-1