1-(4-ethoxyphenyl)-4-[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]pyrrolidin-2-one

Systemtic Name: 1-(4-ethoxyphenyl)-4-[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]pyrrolidin-2-one Openeye Name: 4-(3-benzyl-1H-benzimidazol-3-ium-2-yl)-1-(4-ethoxyphenyl)pyrrolidin-2-one CAS Name: 1-(4-ethoxyphenyl)-4-[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]-2-pyrrolidinone IUPAC Name: 4-(3-benzyl-1H-benzimidazol-3-ium-2-yl)-1-(4-ethoxyphenyl)pyrrolidin-2-one Traditional Name: 4-(3-benzyl-1H-benzimidazol-3-ium-2-yl)-1-p-phenetyl-2-pyrrolidone Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2/c1-2-31-22-14-12-21(13-15-22)28-18-20(16-25(28)30)26-27-23-10-6-7-11-24(23)29(26)17-19-8-4-3-5-9-19/h3-15,20H,2,16-18H2,1H3/p+1