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

Systemtic Name: N-[4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[oxo-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[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=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2S/c29-24(21-10-12-22(13-11-21)27-25(30)23-5-4-16-31-23)26-17-19-6-8-20(9-7-19)18-28-14-2-1-3-15-28/h4-13,16H,1-3,14-15,17-18H2,(H,26,29)(H,27,30)/p+1