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

Systemtic Name: dimethyl-[3-[2-[(3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]benzimidazol-1-yl]propyl]azanium Openeye Name: dimethyl-[3-[2-[(3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidin-3-yl]benzimidazol-1-yl]propyl]ammonium CAS Name: dimethyl-[3-[2-[(3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinyl]-1-benzimidazolyl]propyl]ammonium IUPAC Name: dimethyl-[3-[2-[(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]propyl]azanium Traditional Name: 3-[2-[(3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidin-3-yl]benzimidazol-1-yl]propyl-dimethyl-ammonium Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C2=CC=CC=C2N=C1C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

C[NH+](C)CCCN1C2=CC=CC=C2N=C1[C@H]3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C23H28N4OS/c1-25(2)12-7-13-26-21-11-5-4-10-20(21)24-23(26)17-14-22(28)27(16-17)18-8-6-9-19(15-18)29-3/h4-6,8-11,15,17H,7,12-14,16H2,1-3H3/p+1/t17-/m0/s1