N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(4-benzyloxy-3-methoxy-phenyl)methyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide Traditional Name: N-(4-benzoxy-3-methoxy-benzyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide Formula: C28H32N3O4+ MolecularWeight: 474.57138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-34-26-18-23(12-13-25(26)35-21-22-8-4-2-5-9-22)19-29-27(32)20-30-14-16-31(17-15-30)28(33)24-10-6-3-7-11-24/h2-13,18H,14-17,19-21H2,1H3,(H,29,32)/p+1