diethyl-[(2S)-3-[2-methoxy-5-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-5-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[(4-methoxyphenyl)methylammonio]methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[(4-methoxyphenyl)methylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(p-anisylammonio)methyl]phenoxy]propyl]ammonium Formula: C23H36N2O4+2 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)OC)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(C=C2)OC)OC)O

InChI

InChI=1S/C23H34N2O4/c1-5-25(6-2)16-20(26)17-29-23-13-19(9-12-22(23)28-4)15-24-14-18-7-10-21(27-3)11-8-18/h7-13,20,24,26H,5-6,14-17H2,1-4H3/p+2/t20-/m0/s1