1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperidin-1-ium CAS Name: 1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperidin-1-ium Formula: C29H32NO2+ MolecularWeight: 426.56988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCC(CC3)CC4=CC=CC=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C29H31NO2/c1-21-29(24-11-7-4-8-12-24)26-19-27(31-2)25(18-28(26)32-21)20-30-15-13-23(14-16-30)17-22-9-5-3-6-10-22/h3-12,18-19,23H,13-17,20H2,1-2H3/p+1