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

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium Formula: C29H33N2O2+ MolecularWeight: 441.58452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O2/c1-20-10-11-21(2)26(16-20)31-14-12-30(13-15-31)19-24-17-28-25(18-27(24)32-4)29(22(3)33-28)23-8-6-5-7-9-23/h5-11,16-18H,12-15,19H2,1-4H3/p+1