5-ethyl-3-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-ethyl-3-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 5-ethyl-3-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 5-ethyl-3-methyl-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 5-ethyl-3-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 5-ethyl-3-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]coumarilamide Formula: C23H29N2O2S+ MolecularWeight: 397.55356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C2C)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C23H28N2O2S/c1-3-17-9-10-20-18(14-17)16(2)22(27-20)23(26)24-15-19(21-8-7-13-28-21)25-11-5-4-6-12-25/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3,(H,24,26)/p+1/t19-/m0/s1