N-[2-oxidanylidene-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-oxo-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]thiophene-2-carboxamide CAS Name: N-[2-oxo-2-[[2-(1-piperidin-1-iumylmethyl)phenyl]methylamino]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-oxo-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]thiophene-2-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c24-19(14-22-20(25)18-9-6-12-26-18)21-13-16-7-2-3-8-17(16)15-23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H,21,24)(H,22,25)/p+1