2-[4-[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C17H30N5O2+ MolecularWeight: 336.4524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CN1CC[NH+](CC1)CC(=O)NCC=C

Isomeric SMILES

CC(C)[C@@](C)(C#N)NC(=O)CN1CC[NH+](CC1)CC(=O)NCC=C

InChI

InChI=1S/C17H29N5O2/c1-5-6-19-15(23)11-21-7-9-22(10-8-21)12-16(24)20-17(4,13-18)14(2)3/h5,14H,1,6-12H2,2-4H3,(H,19,23)(H,20,24)/p+1/t17-/m1/s1