N-[3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[oxo-[[1-(1-piperidin-1-iumyl)cyclohexyl]methylamino]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(1-piperidin-1-ium-1-ylcyclohexyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C24H31N3O2S/c28-22(19-9-7-10-20(17-19)26-23(29)21-11-8-16-30-21)25-18-24(12-3-1-4-13-24)27-14-5-2-6-15-27/h7-11,16-17H,1-6,12-15,18H2,(H,25,28)(H,26,29)/p+1