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

Systemtic Name: 1-(3-chlorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium Formula: C27H28ClN2O2+ MolecularWeight: 447.97642

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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)Cl)OC)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2O2/c1-19-27(20-7-4-3-5-8-20)24-17-25(31-2)21(15-26(24)32-19)18-29-11-13-30(14-12-29)23-10-6-9-22(28)16-23/h3-10,15-17H,11-14,18H2,1-2H3/p+1