(3-ethoxy-4-oxidanyl-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium

Systemtic Name: (3-ethoxy-4-oxidanyl-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Openeye Name: (3-ethoxy-4-hydroxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium CAS Name: (3-ethoxy-4-hydroxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methyl-4-piperidin-1-iumyl)methyl]ammonium IUPAC Name: (3-ethoxy-4-hydroxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]azanium Traditional Name: (3-ethoxy-4-hydroxy-benzyl)-[2-(4-methoxyphenyl)ethyl]-[(1-methylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C25H38N2O3+2 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+](CCC2=CC=C(C=C2)OC)CC3CC[NH+](CC3)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+](CCC2=CC=C(C=C2)OC)CC3CC[NH+](CC3)C)O

InChI

InChI=1S/C25H36N2O3/c1-4-30-25-17-22(7-10-24(25)28)19-27(18-21-11-14-26(2)15-12-21)16-13-20-5-8-23(29-3)9-6-20/h5-10,17,21,28H,4,11-16,18-19H2,1-3H3/p+2