2-phenoxyethyl 2-methyl-5-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: 2-phenoxyethyl 2-methyl-5-oxidanyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate Openeye Name: 2-phenoxyethyl 5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-(1-pyrrolidin-1-iumylmethyl)-3-benzofurancarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-carboxylic acid 2-phenoxyethyl ester Formula: C23H26NO5+ MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCC3)O)C(=O)OCCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2C[NH+]3CCCC3)O)C(=O)OCCOC4=CC=CC=C4

InChI

InChI=1S/C23H25NO5/c1-16-21(23(26)28-14-13-27-17-7-3-2-4-8-17)22-18(15-24-11-5-6-12-24)19(25)9-10-20(22)29-16/h2-4,7-10,25H,5-6,11-15H2,1H3/p+1