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

Systemtic Name: phenethyl 2-methyl-4-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C25H30NO4+ MolecularWeight: 408.51

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OCCC4=CC=CC=C4)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OCCC4=CC=CC=C4)O

InChI

InChI=1S/C25H29NO4/c1-17-10-13-26(14-11-17)16-20-21(27)8-9-22-24(20)23(18(2)30-22)25(28)29-15-12-19-6-4-3-5-7-19/h3-9,17,27H,10-16H2,1-2H3/p+1