2-(6-methoxy-1-benzofuran-3-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(6-methoxy-1-benzofuran-3-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(6-methoxybenzofuran-3-yl)acetamide CAS Name: 2-(6-methoxy-3-benzofuranyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(6-methoxybenzofuran-3-yl)acetamide Formula: C28H30N3O3+ MolecularWeight: 456.5561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c1-33-25-11-12-26-22(20-34-27(26)18-25)17-28(32)29-23-7-9-24(10-8-23)31-15-13-30(14-16-31)19-21-5-3-2-4-6-21/h2-12,18,20H,13-17,19H2,1H3,(H,29,32)/p+1