(3R)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3R)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-3-methyl-piperidin-1-ium Openeye Name: (3R)-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-3-methyl-piperidin-1-ium CAS Name: (3R)-1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-3-methylpiperidin-1-ium IUPAC Name: (3R)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-3-methylpiperidin-1-ium Traditional Name: (3R)-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-3-methyl-piperidin-1-ium Formula: C23H28NO2+ MolecularWeight: 350.47392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)OC

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=C3C(=C2)OC(=C3C4=CC=CC=C4)C)OC

InChI

InChI=1S/C23H27NO2/c1-16-8-7-11-24(14-16)15-19-12-22-20(13-21(19)25-3)23(17(2)26-22)18-9-5-4-6-10-18/h4-6,9-10,12-13,16H,7-8,11,14-15H2,1-3H3/p+1/t16-/m1/s1