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

Systemtic Name: 2-[4-(4-phenoxyphenyl)carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-(4-phenoxyphenyl)methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3/c1-17(2)23-21(26)16-24-12-14-25(15-13-24)22(27)18-8-10-20(11-9-18)28-19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,23,26)/p+1