3-[2-[(3S)-1-(3,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]benzimidazol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(3S)-1-(3,5-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]benzimidazol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-[(3S)-1-(3,5-dimethylphenyl)-5-oxo-pyrrolidin-3-yl]benzimidazol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-[(3S)-1-(3,5-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-1-benzimidazolyl]propyl-dimethylammonium IUPAC Name: 3-[2-[(3S)-1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]propyl-dimethylazanium Traditional Name: 3-[2-[(3S)-1-(3,5-dimethylphenyl)-5-keto-pyrrolidin-3-yl]benzimidazol-1-yl]propyl-dimethyl-ammonium Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3CCC[NH+](C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C[C@H](CC2=O)C3=NC4=CC=CC=C4N3CCC[NH+](C)C)C

InChI

InChI=1S/C24H30N4O/c1-17-12-18(2)14-20(13-17)28-16-19(15-23(28)29)24-25-21-8-5-6-9-22(21)27(24)11-7-10-26(3)4/h5-6,8-9,12-14,19H,7,10-11,15-16H2,1-4H3/p+1/t19-/m0/s1