[5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [5-oxidanyl-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-yl]-thiophen-2-yl-methanone Openeye Name: [5-hydroxy-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-yl]-(2-thienyl)methanone CAS Name: [5-hydroxy-4-(1-piperidin-1-iumylmethyl)-3-benzofuranyl]-thiophen-2-ylmethanone IUPAC Name: [5-hydroxy-4-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-yl]-thiophen-2-ylmethanone Traditional Name: [5-hydroxy-4-(piperidin-1-ium-1-ylmethyl)benzofuran-3-yl]-(2-thienyl)methanone Formula: C19H20NO3S+ MolecularWeight: 342.432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CS4)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2C(=CO3)C(=O)C4=CC=CS4)O

InChI

InChI=1S/C19H19NO3S/c21-15-6-7-16-18(13(15)11-20-8-2-1-3-9-20)14(12-23-16)19(22)17-5-4-10-24-17/h4-7,10,12,21H,1-3,8-9,11H2/p+1