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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-phenethyl-ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-phenethylammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-phenethylazanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-phenethyl-ammonium Formula: C24H36N2O3+2 MolecularWeight: 400.55424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=CC=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=CC=C2)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C24H34N2O3/c1-28-23-11-10-21(17-25-13-12-20-8-4-2-5-9-20)16-24(23)29-19-22(27)18-26-14-6-3-7-15-26/h2,4-5,8-11,16,22,25,27H,3,6-7,12-15,17-19H2,1H3/p+2/t22-/m1/s1