2-phenoxyethyl 2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: 2-phenoxyethyl 2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: 2-phenoxyethyl 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-benzofurancarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzofuran-3-carboxylic acid 2-phenoxyethyl ester Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OCCOC4=CC=CC=C4)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OCCOC4=CC=CC=C4)O

InChI

InChI=1S/C25H29NO5/c1-17-10-12-26(13-11-17)16-20-21(27)8-9-22-24(20)23(18(2)31-22)25(28)30-15-14-29-19-6-4-3-5-7-19/h3-9,17,27H,10-16H2,1-2H3/p+1