cyclohexyl-[(2R)-3-[2-methoxy-4-[[(3-methylphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[2-methoxy-4-[[(3-methylphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(m-tolylmethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[[(3-methylphenyl)methylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[[(3-methylphenyl)methylazaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[[(3-methylbenzyl)ammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C26H40N2O3+2 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+](C)C3CCCCC3)O)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+](C)C3CCCCC3)O)OC

InChI

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