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

Systemtic Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-phenyl-piperazin-1-ium Formula: C27H29N2O2+ MolecularWeight: 413.53136

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2/c1-20-27(21-9-5-3-6-10-21)24-18-25(30-2)22(17-26(24)31-20)19-28-13-15-29(16-14-28)23-11-7-4-8-12-23/h3-12,17-18H,13-16,19H2,1-2H3/p+1