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

Systemtic Name: (3-ethoxy-4-phenylmethoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (4-benzyloxy-3-ethoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C20H28NO3+ MolecularWeight: 330.44122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C20H27NO3/c1-3-18(14-22)21-13-17-10-11-19(20(12-17)23-4-2)24-15-16-8-6-5-7-9-16/h5-12,18,21-22H,3-4,13-15H2,1-2H3/p+1/t18-/m1/s1