[4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(2-methoxyphenyl)methyl]azanium

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-[(2-methoxyphenyl)methyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-[(2-methoxyphenyl)methyl]ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-[(2-methoxyphenyl)methyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-[(2-methoxyphenyl)methyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-o-anisyl-ammonium Formula: C24H36N2O4+2 MolecularWeight: 416.55364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC2=CC=CC=C2OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC2=CC=CC=C2OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C24H34N2O4/c1-28-22-9-5-4-8-20(22)16-25-15-19-10-11-23(29-2)24(14-19)30-18-21(27)17-26-12-6-3-7-13-26/h4-5,8-11,14,21,25,27H,3,6-7,12-13,15-18H2,1-2H3/p+2/t21-/m1/s1