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

Systemtic Name: cyclohexyl-methyl-[(2S)-3-[3-[[(3-methyloxetan-3-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(3-methyloxetan-3-yl)methylammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(3-methyl-3-oxetanyl)methylammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(3-methyloxetan-3-yl)methylazaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(3-methyloxetan-3-yl)methylammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C22H38N2O3+2 MolecularWeight: 378.54872

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC1)C[NH2+]CC2=CC(=CC=C2)OCC(C[NH+](C)C3CCCCC3)O

Isomeric SMILES

CC1(COC1)C[NH2+]CC2=CC(=CC=C2)OC[C@H](C[NH+](C)C3CCCCC3)O

InChI

InChI=1S/C22H36N2O3/c1-22(16-26-17-22)15-23-12-18-7-6-10-21(11-18)27-14-20(25)13-24(2)19-8-4-3-5-9-19/h6-7,10-11,19-20,23,25H,3-5,8-9,12-17H2,1-2H3/p+2/t20-/m0/s1