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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-phenethyl-azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-phenethyl-ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-phenethylammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-phenethylazanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-phenethyl-ammonium Formula: C25H38N2O3+2 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C25H36N2O3/c1-26(16-13-21-9-5-3-6-10-21)18-22-11-12-24(29-2)25(17-22)30-20-23(28)19-27-14-7-4-8-15-27/h3,5-6,9-12,17,23,28H,4,7-8,13-16,18-20H2,1-2H3/p+2/t23-/m1/s1