N-(2-ethylphenyl)-2-[4-[2-(phenoxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(phenoxymethyl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo-[2-(phenoxymethyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C28H32N3O3+ MolecularWeight: 458.57198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3COC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3COC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3/c1-2-22-10-7-9-15-26(22)29-27(32)20-30-16-18-31(19-17-30)28(33)25-14-8-6-11-23(25)21-34-24-12-4-3-5-13-24/h3-15H,2,16-21H2,1H3,(H,29,32)/p+1