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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)OCC3=CC=CC=C3

InChI

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