[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl]-ethylazanium Traditional Name: benzyl-ethyl-[2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl]ammonium Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+](CC)CC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-4-13(3)17-16(21)18-15(20)12-19(5-2)11-14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3,(H2,17,18,20,21)/p+1/t13-/m0/s1