[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-[(4-methylphenyl)methyl]azanium

Systemtic Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-[(4-methylphenyl)methyl]azanium Openeye Name: [(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]-(p-tolylmethyl)ammonium CAS Name: [(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]-[(4-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-[(4-methylphenyl)methyl]azanium Traditional Name: [(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]-(4-methylbenzyl)ammonium Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]C(C)C(=O)NCC2=CC=CO2

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+][C@@H](C)C(=O)NCC2=CC=CO2

InChI

InChI=1S/C16H20N2O2/c1-12-5-7-14(8-6-12)10-17-13(2)16(19)18-11-15-4-3-9-20-15/h3-9,13,17H,10-11H2,1-2H3,(H,18,19)/p+1/t13-/m0/s1