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

Systemtic Name: (4-butyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) benzoate iodide Openeye Name: (4-butyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) benzoate iodide CAS Name: benzoic acid (4-butyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) ester iodide IUPAC Name: (4-butyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) benzoate iodide Traditional Name: benzoic acid (4-butyl-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-10-ium-3-yl) ester iodide Formula: C22H25IN2O2 MolecularWeight: 476.35057

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C[N+]3=C1C(CC3)OC(=O)C4=CC=CC=C4.[I-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2C[N+]3=C1C(CC3)OC(=O)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H25N2O2.HI/c1-2-3-14-24-19-12-8-7-11-18(19)16-23-15-13-20(21(23)24)26-22(25)17-9-5-4-6-10-17;/h4-12,20H,2-3,13-16H2,1H3;1H/q+1;/p-1