ethyl 1-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]piperazin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]piperazin-1-ium-1-carboxylate Openeye Name: ethyl 1-[3-[5-(3-furyl)benzimidazol-1-yl]phenyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[3-[5-(3-furanyl)-1-benzimidazolyl]phenyl]-1-piperazin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[5-(furan-3-yl)benzimidazol-1-yl]phenyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[3-[5-(3-furyl)benzimidazol-1-yl]phenyl]piperazin-1-ium-1-carboxylic acid ethyl ester Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCNCC1)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C5=COC=C5

Isomeric SMILES

CCOC(=O)[N+]1(CCNCC1)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C5=COC=C5

InChI

InChI=1S/C24H25N4O3/c1-2-31-24(29)28(11-9-25-10-12-28)21-5-3-4-20(15-21)27-17-26-22-14-18(6-7-23(22)27)19-8-13-30-16-19/h3-8,13-17,25H,2,9-12H2,1H3/q+1