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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN2O4/c1-3-10(7-18)17-6-9-4-11(15)14(12(5-9)20-2)21-8-13(16)19/h4-5,10,17-18H,3,6-8H2,1-2H3,(H2,16,19)/p+1/t10-/m1/s1