(3-ethoxy-4-phenylmethoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: (3-ethoxy-4-phenylmethoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: (4-benzyloxy-3-ethoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: (3-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: (3-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: (4-benzoxy-3-ethoxy-benzyl)-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C25H30NO3+ MolecularWeight: 392.5106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C25H29NO3/c1-3-28-25-17-22(11-14-24(25)29-19-21-7-5-4-6-8-21)18-26-16-15-20-9-12-23(27-2)13-10-20/h4-14,17,26H,3,15-16,18-19H2,1-2H3/p+1