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

Systemtic Name: 2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynyl-ethanamide Openeye Name: N-allyl-2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-N-prop-2-enyl-N-prop-2-ynylacetamide IUPAC Name: 2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]-N-prop-2-enyl-N-prop-2-ynylacetamide Traditional Name: N-allyl-2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]-N-propargyl-acetamide Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCNC(=O)C1CC(=O)N(CC=C)CC#C

Isomeric SMILES

CC(C)CC[NH+]1CCNC(=O)[C@H]1CC(=O)N(CC=C)CC#C

InChI

InChI=1S/C17H27N3O2/c1-5-9-20(10-6-2)16(21)13-15-17(22)18-8-12-19(15)11-7-14(3)4/h1,6,14-15H,2,7-13H2,3-4H3,(H,18,22)/p+1/t15-/m1/s1