4-[3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-yl]-1-phenyl-pyrrolidin-2-one

Systemtic Name: 4-[3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-yl]-1-phenyl-pyrrolidin-2-one Openeye Name: 4-(3-isopentyl-1H-benzimidazol-3-ium-2-yl)-1-phenyl-pyrrolidin-2-one CAS Name: 4-[3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-yl]-1-phenyl-2-pyrrolidinone IUPAC Name: 4-[3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-yl]-1-phenylpyrrolidin-2-one Traditional Name: 4-(3-isoamyl-1H-benzimidazol-3-ium-2-yl)-1-phenyl-2-pyrrolidone Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=C(NC2=CC=CC=C21)C3CC(=O)N(C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC[N+]1=C(NC2=CC=CC=C21)C3CC(=O)N(C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-16(2)12-13-24-20-11-7-6-10-19(20)23-22(24)17-14-21(26)25(15-17)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3/p+1