4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine

Systemtic Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-benzofuro[3,2-d]pyrimidine CAS Name: 4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-methylbenzofuro[3,2-d]pyrimidine IUPAC Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-benzofuro[3,2-d]pyrimidine Formula: C23H23N6O+ MolecularWeight: 399.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5N4)OC6=CC=CC=C62

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5N4)OC6=CC=CC=C62

InChI

InChI=1S/C23H22N6O/c1-15-24-21-16-6-2-5-9-19(16)30-22(21)23(25-15)29-12-10-28(11-13-29)14-20-26-17-7-3-4-8-18(17)27-20/h2-9H,10-14H2,1H3,(H,26,27)/p+1