N-(2-methoxyethyl)-2-[4-(4-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxyethyl)-2-[4-(4-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methoxyethyl)-2-[4-[oxo-(4-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

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