cyclohexyl-methyl-[(2S)-3-[3-[[(2-methylphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: cyclohexyl-methyl-[(2S)-3-[3-[[(2-methylphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[(o-tolylmethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(2-methylphenyl)methylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(2-methylphenyl)methylazaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(2-methylbenzyl)ammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C25H38N2O2+2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH2+]CC2=CC(=CC=C2)OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

CC1=CC=CC=C1C[NH2+]CC2=CC(=CC=C2)OC[C@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C25H36N2O2/c1-20-9-6-7-11-22(20)17-26-16-21-10-8-14-25(15-21)29-19-24(28)18-27(2)23-12-4-3-5-13-23/h6-11,14-15,23-24,26,28H,3-5,12-13,16-19H2,1-2H3/p+2/t24-/m0/s1