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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O2/c1-21-28(23-11-7-4-8-12-23)25-18-26(31-2)24(17-27(25)32-21)20-30-15-13-29(14-16-30)19-22-9-5-3-6-10-22/h3-12,17-18H,13-16,19-20H2,1-2H3/p+1