[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-[(2S)-1-methoxypropan-2-yl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methyl-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methyl-[(1S)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]-[(1S)-2-methoxy-1-methyl-ethyl]ammonium Formula: C14H22ClN2O4+ MolecularWeight: 317.78848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2O4/c1-9(7-19-2)17-6-10-4-11(15)14(12(5-10)20-3)21-8-13(16)18/h4-5,9,17H,6-8H2,1-3H3,(H2,16,18)/p+1/t9-/m0/s1