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

Systemtic Name: 1-(2-ethoxyphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium Openeye Name: 1-(2-ethoxyphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]piperazin-4-ium CAS Name: 1-(2-ethoxyphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-6-benzofuranyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-ethoxyphenyl)-4-[(5-methoxy-2-methyl-3-phenyl-1-benzofuran-6-yl)methyl]piperazin-4-ium Traditional Name: 1-[(5-methoxy-2-methyl-3-phenyl-benzofuran-6-yl)methyl]-4-o-phenetyl-piperazin-1-ium Formula: C29H33N2O3+ MolecularWeight: 457.58392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=C4C(=C3)OC(=C4C5=CC=CC=C5)C)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=C4C(=C3)OC(=C4C5=CC=CC=C5)C)OC

InChI

InChI=1S/C29H32N2O3/c1-4-33-26-13-9-8-12-25(26)31-16-14-30(15-17-31)20-23-18-28-24(19-27(23)32-3)29(21(2)34-28)22-10-6-5-7-11-22/h5-13,18-19H,4,14-17,20H2,1-3H3/p+1