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

Systemtic Name: 3,5,6-trimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3,5,6-trimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzofuran-2-carboxamide CAS Name: 3,5,6-trimethyl-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-2-benzofurancarboxamide IUPAC Name: 3,5,6-trimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide Traditional Name: 3,5,6-trimethyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]coumarilamide Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCC4)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(O2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCC4)C)C

InChI

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