2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynyl-ethanamide Openeye Name: N-allyl-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]-N-prop-2-enyl-N-prop-2-ynylacetamide IUPAC Name: 2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynylacetamide Traditional Name: N-allyl-2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-propargyl-acetamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC#C)C(=O)CC1C(=O)NCC[NH+]1CCC2=CC=CC=C2

Isomeric SMILES

C=CCN(CC#C)C(=O)C[C@@H]1C(=O)NCC[NH+]1CCC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O2/c1-3-12-23(13-4-2)19(24)16-18-20(25)21-11-15-22(18)14-10-17-8-6-5-7-9-17/h1,4-9,18H,2,10-16H2,(H,21,25)/p+1/t18-/m1/s1