[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-[2-keto-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-9-4-6-11(7-5-9)15-12(17)8-16(3)10(2)13(14)18/h4-7,10H,8H2,1-3H3,(H2,14,18)(H,15,17)/p+1/t10-/m0/s1