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

Systemtic Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C27H28N3O4+ MolecularWeight: 458.52892

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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)[N+](=O)[O-])OC)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O4/c1-19-27(20-6-4-3-5-7-20)24-17-25(33-2)21(16-26(24)34-19)18-28-12-14-29(15-13-28)22-8-10-23(11-9-22)30(31)32/h3-11,16-17H,12-15,18H2,1-2H3/p+1