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

Systemtic Name: 4-(4-bromophenyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium-4-ol Openeye Name: 4-(4-bromophenyl)-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperidin-1-ium-4-ol CAS Name: 4-(4-bromophenyl)-1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-4-piperidin-1-iumol IUPAC Name: 4-(4-bromophenyl)-1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperidin-1-ium-4-ol Traditional Name: 4-(4-bromophenyl)-1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperidin-1-ium-4-ol Formula: C28H29BrNO3+ MolecularWeight: 507.43876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28BrNO3/c1-19-27(20-6-4-3-5-7-20)24-17-25(32-2)21(16-26(24)33-19)18-30-14-12-28(31,13-15-30)22-8-10-23(29)11-9-22/h3-11,16-17,31H,12-15,18H2,1-2H3/p+1