(4-methoxy-3-phenylmethoxy-phenyl)methyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium

Systemtic Name: (4-methoxy-3-phenylmethoxy-phenyl)methyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium Openeye Name: (3-benzyloxy-4-methoxy-phenyl)methyl-methyl-(2-pyridin-1-ium-2-ylethyl)ammonium CAS Name: (4-methoxy-3-phenylmethoxyphenyl)methyl-methyl-[2-(2-pyridin-1-iumyl)ethyl]ammonium IUPAC Name: (4-methoxy-3-phenylmethoxyphenyl)methyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium Traditional Name: (3-benzoxy-4-methoxy-benzyl)-methyl-(2-pyridin-1-ium-2-ylethyl)ammonium Formula: C23H28N2O2+2 MolecularWeight: 364.48062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=[NH+]1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC=CC=[NH+]1)CC2=CC(=C(C=C2)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O2/c1-25(15-13-21-10-6-7-14-24-21)17-20-11-12-22(26-2)23(16-20)27-18-19-8-4-3-5-9-19/h3-12,14,16H,13,15,17-18H2,1-2H3/p+2