3,5,6-trimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,5,6-trimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3,5,6-trimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 3,5,6-trimethyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 3,5,6-trimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 3,5,6-trimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]coumarilamide Formula: C22H27N2O2S+ MolecularWeight: 383.52698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4)C)C

InChI

InChI=1S/C22H26N2O2S/c1-14-11-17-16(3)21(26-19(17)12-15(14)2)22(25)23-13-18(20-7-6-10-27-20)24-8-4-5-9-24/h6-7,10-12,18H,4-5,8-9,13H2,1-3H3,(H,23,25)/p+1/t18-/m0/s1