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

Systemtic Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Traditional Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Formula: C28H31N2O3+ MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O3/c1-20-28(21-8-5-4-6-9-21)25-18-26(32-3)22(16-27(25)33-20)19-29-12-14-30(15-13-29)23-10-7-11-24(17-23)31-2/h4-11,16-18H,12-15,19H2,1-3H3/p+1