(3-ethoxy-4-oxidanyl-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (3-ethoxy-4-oxidanyl-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (3-ethoxy-4-hydroxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3-ethoxy-4-hydroxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3-ethoxy-4-hydroxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (3-ethoxy-4-hydroxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C13H22NO3+ MolecularWeight: 240.31868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3/c1-3-11(9-15)14-8-10-5-6-12(16)13(7-10)17-4-2/h5-7,11,14-16H,3-4,8-9H2,1-2H3/p+1/t11-/m1/s1