[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(2S)-butan-2-yl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(2S)-butan-2-yl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-[(1S)-1-methylpropyl]ammonium Formula: C14H22ClN2O3+ MolecularWeight: 301.78908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2O3/c1-4-9(2)17-7-10-5-11(15)14(12(6-10)19-3)20-8-13(16)18/h5-6,9,17H,4,7-8H2,1-3H3,(H2,16,18)/p+1/t9-/m0/s1