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

Systemtic Name: [4-methoxy-3-[(2R)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium Openeye Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-phenyl]methyl-methyl-(2-tetrahydropyran-4-ylethyl)ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-4-methoxyphenyl]methyl-methyl-[2-(4-oxanyl)ethyl]ammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-4-methoxyphenyl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium Traditional Name: [3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-4-methoxy-benzyl]-methyl-(2-tetrahydropyran-4-ylethyl)ammonium Formula: C24H42N2O4+2 MolecularWeight: 422.60128

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1CCOCC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

C[NH+](CCC1CCOCC1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C24H40N2O4/c1-25(13-8-20-9-14-29-15-10-20)17-21-6-7-23(28-2)24(16-21)30-19-22(27)18-26-11-4-3-5-12-26/h6-7,16,20,22,27H,3-5,8-15,17-19H2,1-2H3/p+2/t22-/m1/s1