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

Systemtic Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C26H29N3O2+2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2O1)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)OC)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2/c1-19-26(20-8-4-3-5-9-20)22-17-23(30-2)21(16-24(22)31-19)18-28-12-14-29(15-13-28)25-10-6-7-11-27-25/h3-11,16-17H,12-15,18H2,1-2H3/p+2