N-[[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[(1-methyl-2-benzimidazolyl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH+]3CCCC(C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C20H24N4OS/c1-23-17-8-3-2-7-16(17)22-19(23)14-24-10-4-6-15(13-24)12-21-20(25)18-9-5-11-26-18/h2-3,5,7-9,11,15H,4,6,10,12-14H2,1H3,(H,21,25)/p+1/t15-/m1/s1