N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(4-thianyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(thian-4-yl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-4-carboxamide Formula: C24H29N4OS+ MolecularWeight: 421.57826

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C5CCSCC5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C5CCSCC5

InChI

InChI=1S/C24H28N4OS/c29-24(18-9-13-28(14-10-18)20-11-15-30-16-12-20)25-19-7-5-17(6-8-19)23-26-21-3-1-2-4-22(21)27-23/h1-8,18,20H,9-16H2,(H,25,29)(H,26,27)/p+1