N-[2-(6-chloranyl-1H-benzimidazol-2-yl)ethyl]-2-pyrrolidin-1-yl-6-thiophen-3-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(6-chloranyl-1H-benzimidazol-2-yl)ethyl]-2-pyrrolidin-1-yl-6-thiophen-3-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-pyrrolidin-1-yl-6-(3-thienyl)pyridin-1-ium-3-carboxamide CAS Name: N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-(1-pyrrolidinyl)-6-(3-thiophenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-pyrrolidin-1-yl-6-thiophen-3-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-pyrrolidino-6-(3-thienyl)pyridin-1-ium-3-carboxamide Formula: C23H23ClN5OS+ MolecularWeight: 452.97962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=[NH+]2)C3=CSC=C3)C(=O)NCCC4=NC5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=[NH+]2)C3=CSC=C3)C(=O)NCCC4=NC5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C23H22ClN5OS/c24-16-3-5-19-20(13-16)27-21(26-19)7-9-25-23(30)17-4-6-18(15-8-12-31-14-15)28-22(17)29-10-1-2-11-29/h3-6,8,12-14H,1-2,7,9-11H2,(H,25,30)(H,26,27)/p+1