N-methyl-5-[4-oxidanyl-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-methyl-5-[4-oxidanyl-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-[1-[(E)-cinnamyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-methyl-N-(thiazol-4-ylmethyl)benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-N-methyl-N-(4-thiazolylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-[1-[(E)-cinnamyl]-4-hydroxy-piperidin-1-ium-4-yl]-N-methyl-N-(thiazol-4-ylmethyl)coumarilamide Formula: C28H30N3O3S+ MolecularWeight: 488.6211

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=N1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)CC=CC5=CC=CC=C5)O

Isomeric SMILES

CN(CC1=CSC=N1)C(=O)C2=CC3=C(O2)C=CC(=C3)C4(CC[NH+](CC4)C/C=C/C5=CC=CC=C5)O

InChI

InChI=1S/C28H29N3O3S/c1-30(18-24-19-35-20-29-24)27(32)26-17-22-16-23(9-10-25(22)34-26)28(33)11-14-31(15-12-28)13-5-8-21-6-3-2-4-7-21/h2-10,16-17,19-20,33H,11-15,18H2,1H3/p+1/b8-5+