(2Z)-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2Z)-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-2-(2-thienylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-(1-pyrrolidin-1-iumylmethyl)-2-(thiophen-2-ylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-(pyrrolidin-1-ium-1-ylmethyl)-2-(2-thenylidene)coumaran-3-one Formula: C18H18NO3S+ MolecularWeight: 328.40542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CS4)/C3=O)O

InChI

InChI=1S/C18H17NO3S/c20-15-6-5-13-17(21)16(10-12-4-3-9-23-12)22-18(13)14(15)11-19-7-1-2-8-19/h3-6,9-10,20H,1-2,7-8,11H2/p+1/b16-10-