3-(1H-benzimidazol-2-ylmethyl)-6-[3-(1H-benzimidazol-2-yl)prop-2-ynyl]-3-(1,3-dihydroisoindol-2-ylmethyl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-3-ium

Systemtic Name: 3-(1H-benzimidazol-2-ylmethyl)-6-[3-(1H-benzimidazol-2-yl)prop-2-ynyl]-3-(1,3-dihydroisoindol-2-ylmethyl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-3-ium Openeye Name: 3-(1H-benzimidazol-2-ylmethyl)-6-[3-(1H-benzimidazol-2-yl)prop-2-ynyl]-3-(isoindolin-2-ylmethyl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-3-ium CAS Name: 3-(1H-benzimidazol-2-ylmethyl)-6-[3-(1H-benzimidazol-2-yl)prop-2-ynyl]-3-(1,3-dihydroisoindol-2-ylmethyl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-3-ium IUPAC Name: 3-(1H-benzimidazol-2-ylmethyl)-6-[3-(1H-benzimidazol-2-yl)prop-2-ynyl]-3-(1,3-dihydroisoindol-2-ylmethyl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-3-ium Traditional Name: 3-(1H-benzimidazol-2-ylmethyl)-6-[3-(1H-benzimidazol-2-yl)prop-2-ynyl]-3-(isoindolin-2-ylmethyl)-4,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-3-ium Formula: C34H33N8+ MolecularWeight: 553.67942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1N=C[N+](C2)(CC3=NC4=CC=CC=C4N3)CN5CC6=CC=CC=C6C5)CC#CC7=NC8=CC=CC=C8N7

Isomeric SMILES

C1CN(CC2=C1N=C[N+](C2)(CC3=NC4=CC=CC=C4N3)CN5CC6=CC=CC=C6C5)CC#CC7=NC8=CC=CC=C8N7

InChI

InChI=1S/C34H33N8/c1-2-9-26-19-41(18-25(26)8-1)24-42(22-34-38-31-12-5-6-13-32(31)39-34)21-27-20-40(17-15-28(27)35-23-42)16-7-14-33-36-29-10-3-4-11-30(29)37-33/h1-6,8-13,23H,15-22,24H2,(H,36,37)(H,38,39)/q+1