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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OCCOC4=CC=CC=C4)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2C(=C(O3)C)C(=O)OCCOC4=CC=CC=C4)O

InChI

InChI=1S/C25H29NO5/c1-17-7-6-12-26(15-17)16-20-21(27)10-11-22-24(20)23(18(2)31-22)25(28)30-14-13-29-19-8-4-3-5-9-19/h3-5,8-11,17,27H,6-7,12-16H2,1-2H3/p+1/t17-/m1/s1