3,6-dimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,6-dimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3,6-dimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 3,6-dimethyl-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 3,6-dimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 3,6-dimethyl-N-[(2S)-2-piperidin-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=CC2=C(C=C1)C(=C(O2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCC4)C

InChI

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