diethyl-[(2S)-3-[2-methoxy-4-[[(1-oxidanylcyclohexyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[[(1-oxidanylcyclohexyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[4-[[(1-hydroxycyclohexyl)methylammonio]methyl]-2-methoxy-phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[4-[[(1-hydroxycyclohexyl)methylammonio]methyl]-2-methoxyphenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[4-[[(1-hydroxycyclohexyl)methylazaniumyl]methyl]-2-methoxyphenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[4-[[(1-hydroxycyclohexyl)methylammonio]methyl]-2-methoxy-phenoxy]propyl]ammonium Formula: C22H40N2O4+2 MolecularWeight: 396.564

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=C(C=C1)C[NH2+]CC2(CCCCC2)O)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)C[NH2+]CC2(CCCCC2)O)OC)O

InChI

InChI=1S/C22H38N2O4/c1-4-24(5-2)15-19(25)16-28-20-10-9-18(13-21(20)27-3)14-23-17-22(26)11-7-6-8-12-22/h9-10,13,19,23,25-26H,4-8,11-12,14-17H2,1-3H3/p+2/t19-/m0/s1