cyclohexyl-[(2R)-3-[3-[[(2-methoxyphenyl)methyl-methyl-azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[3-[[(2-methoxyphenyl)methyl-methyl-azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[(2-methoxyphenyl)methyl-methyl-ammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[(2-methoxyphenyl)methyl-methylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[(2-methoxyphenyl)methyl-methylazaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[methyl(o-anisyl)ammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C26H40N2O3+2 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OCC(C[NH+](C)C2CCCCC2)O)CC3=CC=CC=C3OC

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC[C@@H](C[NH+](C)C2CCCCC2)O)CC3=CC=CC=C3OC

InChI

InChI=1S/C26H38N2O3/c1-27(18-22-11-7-8-15-26(22)30-3)17-21-10-9-14-25(16-21)31-20-24(29)19-28(2)23-12-5-4-6-13-23/h7-11,14-16,23-24,29H,4-6,12-13,17-20H2,1-3H3/p+2/t24-/m1/s1