[(2R)-3-[2-methoxy-5-[[(3-methylphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[[(3-methylphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(m-tolylmethylammonio)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(3-methylphenyl)methylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(3-methylphenyl)methylazaniumyl]methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[[(3-methylbenzyl)ammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C23H36N2O3+2 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O3/c1-17(2)25(4)15-21(26)16-28-23-12-20(9-10-22(23)27-5)14-24-13-19-8-6-7-18(3)11-19/h6-12,17,21,24,26H,13-16H2,1-5H3/p+2/t21-/m1/s1