ethyl 4-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate chloride

Systemtic Name: ethyl 4-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-5-oxidanyl-2-phenyl-1-benzofuran-3-carboxylate chloride Openeye Name: ethyl 4-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-5-hydroxy-2-phenyl-benzofuran-3-carboxylate chloride CAS Name: 4-[(2,6-dimethyl-1-piperidin-1-iumyl)methyl]-5-hydroxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate chloride Traditional Name: 4-[(2,6-dimethylpiperidin-1-ium-1-yl)methyl]-5-hydroxy-2-phenyl-benzofuran-3-carboxylic acid ethyl ester chloride Formula: C25H30ClNO4 MolecularWeight: 443.963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+]3C(CCCC3C)C)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+]3C(CCCC3C)C)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H29NO4.ClH/c1-4-29-25(28)23-22-19(15-26-16(2)9-8-10-17(26)3)20(27)13-14-21(22)30-24(23)18-11-6-5-7-12-18;/h5-7,11-14,16-17,27H,4,8-10,15H2,1-3H3;1H