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

Systemtic Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-(4-methylphenyl)piperazin-1-ium Openeye Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-(p-tolyl)piperazin-1-ium CAS Name: 1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-4-(4-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-(4-methylphenyl)piperazin-1-ium Traditional Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-(p-tolyl)piperazin-1-ium Formula: C28H31N2O2+ MolecularWeight: 427.55794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=C4C(=C3)OC(=C4C5=CC=CC=C5)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=C(C=C4C(=C3)OC(=C4C5=CC=CC=C5)C)OC

InChI

InChI=1S/C28H30N2O2/c1-20-9-11-24(12-10-20)30-15-13-29(14-16-30)19-23-17-27-25(18-26(23)31-3)28(21(2)32-27)22-7-5-4-6-8-22/h4-12,17-18H,13-16,19H2,1-3H3/p+1