[4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[[4-(2-amino-2-oxo-ethoxy)phenyl]methyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-1-amino-1-oxopropan-2-yl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-1-amino-1-oxopropan-2-yl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)benzyl]-[(1S)-2-amino-2-keto-1-methyl-ethyl]ammonium Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH2+]CC1=CC=C(C=C1)OCC(=O)N

Isomeric SMILES

C[C@@H](C(=O)N)[NH2+]CC1=CC=C(C=C1)OCC(=O)N

InChI

InChI=1S/C12H17N3O3/c1-8(12(14)17)15-6-9-2-4-10(5-3-9)18-7-11(13)16/h2-5,8,15H,6-7H2,1H3,(H2,13,16)(H2,14,17)/p+1/t8-/m0/s1