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

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[(phenethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(phenethylammonio)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(phenethylammonio)methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(phenethylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(phenethylammonio)methyl]phenoxy]propyl]ammonium Formula: C23H36N2O3+2 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=CC=C2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=CC=C2)OC)O

InChI

InChI=1S/C23H34N2O3/c1-4-25(5-2)17-21(26)18-28-22-12-11-20(15-23(22)27-3)16-24-14-13-19-9-7-6-8-10-19/h6-12,15,21,24,26H,4-5,13-14,16-18H2,1-3H3/p+2/t21-/m0/s1