5,7-dimethyl-2-phenyl-1,5-bis(phenylmethyl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-1,5-diium iodide

Systemtic Name: 5,7-dimethyl-2-phenyl-1,5-bis(phenylmethyl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-1,5-diium iodide Openeye Name: 1,5-dibenzyl-5,7-dimethyl-2-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-1,5-diium iodide CAS Name: 5,7-dimethyl-2-phenyl-1,5-bis(phenylmethyl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-1,5-diium iodide IUPAC Name: 1,5-dibenzyl-5,7-dimethyl-2-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-1,5-diium iodide Traditional Name: 1,5-dibenzyl-5,7-dimethyl-2-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-1,5-diium iodide Formula: C29H32IN2+ MolecularWeight: 535.48225

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](CC2=C1[NH+](C(=C2)C3=CC=CC=C3)CC4=CC=CC=C4)(C)CC5=CC=CC=C5.[I-]

Isomeric SMILES

CC1C[N+](CC2=C1[NH+](C(=C2)C3=CC=CC=C3)CC4=CC=CC=C4)(C)CC5=CC=CC=C5.[I-]

InChI

InChI=1S/C29H31N2.HI/c1-23-20-31(2,21-25-14-8-4-9-15-25)22-27-18-28(26-16-10-5-11-17-26)30(29(23)27)19-24-12-6-3-7-13-24;/h3-18,23H,19-22H2,1-2H3;1H/q+1;