N-[2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[oxo-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]carbamoyl]phenyl]thiophene-2-carboxamide Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O2S/c29-24(21-7-2-3-8-22(21)27-25(30)23-9-6-16-31-23)26-17-19-10-12-20(13-11-19)18-28-14-4-1-5-15-28/h2-3,6-13,16H,1,4-5,14-15,17-18H2,(H,26,29)(H,27,30)/p+1