2,5-bis(chloranyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide

Systemtic Name: 2,5-bis(chloranyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide Openeye Name: 2,5-dichloro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide CAS Name: 2,5-dichloro-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-thiophenecarboxamide IUPAC Name: 2,5-dichloro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-3-carboxamide Traditional Name: 2,5-dichloro-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]thiophene-3-carboxamide Formula: C18H21Cl2N2OS+ MolecularWeight: 384.34314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=C(SC(=C3)Cl)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=C(SC(=C3)Cl)Cl

InChI

InChI=1S/C18H20Cl2N2OS/c19-16-10-15(17(20)24-16)18(23)21-11-13-6-2-3-7-14(13)12-22-8-4-1-5-9-22/h2-3,6-7,10H,1,4-5,8-9,11-12H2,(H,21,23)/p+1