ethyl 2-[5-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzimidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzimidazol-1-yl]ethanoate Openeye Name: ethyl 2-[5-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzimidazol-1-yl]acetate CAS Name: 2-[5-[[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]-2-phenyl-1-benzimidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]-2-phenylbenzimidazol-1-yl]acetate Traditional Name: 2-[5-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-benzimidazol-1-yl]acetic acid ethyl ester Formula: C37H37N6O2+ MolecularWeight: 597.72868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=C5)CC(=O)OCC)C6=NC7=CC=CC=C7N6C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC4=C(C=C3)N(C(=N4)C5=CC=CC=C5)CC(=O)OCC)C6=NC7=CC=CC=C7N6C

InChI

InChI=1S/C37H37N6O2/c1-5-13-33-40-35-27(37-38-28-17-10-11-18-30(28)41(37)3)16-12-19-32(35)43(33,4)24-25-20-21-31-29(22-25)39-36(26-14-8-7-9-15-26)42(31)23-34(44)45-6-2/h7-12,14-22H,5-6,13,23-24H2,1-4H3/q+1