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

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[[(2-methylphenyl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(o-tolylmethylammonio)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[(2-methylphenyl)methylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[(2-methylphenyl)methylazaniumyl]methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[(2-methylbenzyl)ammonio]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+]CC2=CC=CC=C2C)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)C[NH2+]CC2=CC=CC=C2C)OC)O

InChI

InChI=1S/C23H34N2O3/c1-5-25(6-2)16-21(26)17-28-22-12-11-19(13-23(22)27-4)14-24-15-20-10-8-7-9-18(20)3/h7-13,21,24,26H,5-6,14-17H2,1-4H3/p+2/t21-/m0/s1