cyclohexyl-[(2R)-3-[3-[[(2-ethoxy-2-oxidanylidene-ethyl)-methyl-azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[3-[[(2-ethoxy-2-oxidanylidene-ethyl)-methyl-azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-3-[3-[[(2-ethoxy-2-oxo-ethyl)-methyl-ammonio]methyl]phenoxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-3-[3-[[(2-ethoxy-2-oxoethyl)-methylammonio]methyl]phenoxy]-2-hydroxypropyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-3-[3-[[(2-ethoxy-2-oxoethyl)-methylazaniumyl]methyl]phenoxy]-2-hydroxypropyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-3-[3-[[(2-ethoxy-2-keto-ethyl)-methyl-ammonio]methyl]phenoxy]-2-hydroxy-propyl]-methyl-ammonium Formula: C22H38N2O4+2 MolecularWeight: 394.54812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O4/c1-4-27-22(26)16-23(2)14-18-9-8-12-21(13-18)28-17-20(25)15-24(3)19-10-6-5-7-11-19/h8-9,12-13,19-20,25H,4-7,10-11,14-17H2,1-3H3/p+2/t20-/m1/s1