N-[2-(piperidin-1-ium-1-ylmethyl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-(piperidin-1-ium-1-ylmethyl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide Openeye Name: N-[2-(piperidin-1-ium-1-ylmethyl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide CAS Name: N-[2-(1-piperidin-1-iumylmethyl)-3H-benzimidazol-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-(piperidin-1-ium-1-ylmethyl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C18H20N4OS/c23-18(16-5-4-10-24-16)19-13-6-7-14-15(11-13)21-17(20-14)12-22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9,12H2,(H,19,23)(H,20,21)/p+1