3,4,6-trimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,4,6-trimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3,4,6-trimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 3,4,6-trimethyl-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 3,4,6-trimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 3,4,6-trimethyl-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]coumarilamide Formula: C22H27N2O2S+ MolecularWeight: 383.52698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C(OC2=C1)C(=O)NCC(C3=CC=CS3)[NH+]4CCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C(OC2=C1)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCC4)C)C

InChI

InChI=1S/C22H26N2O2S/c1-14-11-15(2)20-16(3)21(26-18(20)12-14)22(25)23-13-17(19-7-6-10-27-19)24-8-4-5-9-24/h6-7,10-12,17H,4-5,8-9,13H2,1-3H3,(H,23,25)/p+1/t17-/m0/s1