N-(1H-benzimidazol-2-ylmethyl)-2-thiomorpholin-4-yl-6-thiophen-3-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-2-thiomorpholin-4-yl-6-thiophen-3-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-6-(3-thienyl)-2-thiomorpholino-pyridin-1-ium-3-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-thiomorpholin-4-yl-6-(3-thiophenyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-2-thiomorpholin-4-yl-6-thiophen-3-ylpyridin-1-ium-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-6-(3-thienyl)-2-thiomorpholino-pyridin-1-ium-3-carboxamide Formula: C22H22N5OS2+ MolecularWeight: 436.57298

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=C(C=CC(=[NH+]2)C3=CSC=C3)C(=O)NCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CSCCN1C2=C(C=CC(=[NH+]2)C3=CSC=C3)C(=O)NCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H21N5OS2/c28-22(23-13-20-24-18-3-1-2-4-19(18)25-20)16-5-6-17(15-7-10-30-14-15)26-21(16)27-8-11-29-12-9-27/h1-7,10,14H,8-9,11-13H2,(H,23,28)(H,24,25)/p+1