(3-ethoxy-2-phenylmethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: (3-ethoxy-2-phenylmethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: (2-benzyloxy-3-ethoxy-phenyl)methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: (3-ethoxy-2-phenylmethoxyphenyl)methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: (3-ethoxy-2-phenylmethoxyphenyl)methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: (2-benzoxy-3-ethoxy-benzyl)-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C22H32N2O2+2 MolecularWeight: 356.50168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CC3CC[NH2+]CC3

Isomeric SMILES

CCOC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]CC3CC[NH2+]CC3

InChI

InChI=1S/C22H30N2O2/c1-2-25-21-10-6-9-20(16-24-15-18-11-13-23-14-12-18)22(21)26-17-19-7-4-3-5-8-19/h3-10,18,23-24H,2,11-17H2,1H3/p+2