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

Systemtic Name: 2-[4-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[2-[[(1S)-1-benzyl-2-keto-propyl]amino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)NCC=C

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)NCC=C

InChI

InChI=1S/C21H30N4O3/c1-3-9-22-20(27)15-24-10-12-25(13-11-24)16-21(28)23-19(17(2)26)14-18-7-5-4-6-8-18/h3-8,19H,1,9-16H2,2H3,(H,22,27)(H,23,28)/p+1/t19-/m0/s1