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

Systemtic Name: N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-phenoxy-acetamide CAS Name: N-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-phenoxyacetamide IUPAC Name: N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-phenoxyacetamide Traditional Name: N-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxy-acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-18-7-5-6-8-19(18)16-24-11-13-25(14-12-24)22(27)15-23-21(26)17-28-20-9-3-2-4-10-20/h2-10H,11-17H2,1H3,(H,23,26)/p+1