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

Systemtic Name: 1-[4-[4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C29H31N2O3+ MolecularWeight: 455.56804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3/c1-20(32)22-9-11-25(12-10-22)31-15-13-30(14-16-31)19-24-17-28-26(18-27(24)33-3)29(21(2)34-28)23-7-5-4-6-8-23/h4-12,17-18H,13-16,19H2,1-3H3/p+1