(3-methoxy-2,2-dimethyl-3-oxidanylidene-propyl)-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]azanium

Systemtic Name: (3-methoxy-2,2-dimethyl-3-oxidanylidene-propyl)-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]azanium Openeye Name: [(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-(3-methoxy-2,2-dimethyl-3-oxo-propyl)ammonium CAS Name: (3-methoxy-2,2-dimethyl-3-oxopropyl)-[(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(benzylamino)-1-oxopropan-2-yl]-(3-methoxy-2,2-dimethyl-3-oxopropyl)azanium Traditional Name: [(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl]-(3-keto-3-methoxy-2,2-dimethyl-propyl)ammonium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH2+]CC(C)(C)C(=O)OC

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)[NH2+]CC(C)(C)C(=O)OC

InChI

InChI=1S/C16H24N2O3/c1-12(18-11-16(2,3)15(20)21-4)14(19)17-10-13-8-6-5-7-9-13/h5-9,12,18H,10-11H2,1-4H3,(H,17,19)/p+1/t12-/m0/s1