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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]methyl-[(2S)-pentan-2-yl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)phenyl]methyl-[(1S)-1-methylbutyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)phenyl]methyl-[(2S)-pentan-2-yl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)benzyl]-[(1S)-1-methylbutyl]ammonium Formula: C14H23N2O2+ MolecularWeight: 251.34462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2/c1-3-4-11(2)16-9-12-5-7-13(8-6-12)18-10-14(15)17/h5-8,11,16H,3-4,9-10H2,1-2H3,(H2,15,17)/p+1/t11-/m0/s1