N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-phenoxy-acetamide CAS Name: N-[2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-phenoxyacetamide IUPAC Name: N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-phenoxyacetamide Traditional Name: N-[2-keto-2-(4-p-anisylpiperazin-4-ium-1-yl)ethyl]-2-phenoxy-acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-28-19-9-7-18(8-10-19)16-24-11-13-25(14-12-24)22(27)15-23-21(26)17-29-20-5-3-2-4-6-20/h2-10H,11-17H2,1H3,(H,23,26)/p+1