2-cyanoethyl-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: 2-cyanoethyl-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: 2-cyanoethyl-[(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-cyanoethyl-[(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: 2-cyanoethyl-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-methylazanium Traditional Name: 2-cyanoethyl-[(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)[NH+](C)CCC#N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)[NH+](C)CCC#N

InChI

InChI=1S/C12H17N3O2/c1-10(15(2)7-4-6-13)12(16)14-9-11-5-3-8-17-11/h3,5,8,10H,4,7,9H2,1-2H3,(H,14,16)/p+1/t10-/m0/s1