[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-(furan-2-ylmethyl)azanium

Systemtic Name: [(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-(furan-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[(1S)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-(2-furanylmethyl)ammonium IUPAC Name: [(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-(furan-2-ylmethyl)azanium Traditional Name: 2-furfuryl-[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylpropyl]amino]ethyl]ammonium Formula: C12H21N2O2+ MolecularWeight: 225.30734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)[NH2+]CC1=CC=CO1

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H](C)[NH2+]CC1=CC=CO1

InChI

InChI=1S/C12H20N2O2/c1-4-9(2)14-12(15)10(3)13-8-11-6-5-7-16-11/h5-7,9-10,13H,4,8H2,1-3H3,(H,14,15)/p+1/t9-,10-/m0/s1