(2R)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: (2R)-N-(2-ethoxyphenyl)-2-phenyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-ethoxyphenyl)-2-phenyl-acetamide CAS Name: (2R)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2-ethoxyphenyl)-2-phenylacetamide IUPAC Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide Traditional Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-o-phenetyl-2-phenyl-acetamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-2-33-24-16-10-9-15-23(24)28-26(31)25(21-11-5-3-6-12-21)29-17-19-30(20-18-29)27(32)22-13-7-4-8-14-22/h3-16,25H,2,17-20H2,1H3,(H,28,31)/p+1/t25-/m1/s1