[(2S)-2-ethylhexyl]-[(2R)-3-(3-methoxycarbonylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(2R)-3-(3-methoxycarbonylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(2R)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(2R)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(2R)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]azanium Traditional Name: [(2R)-3-(3-carbomethoxyphenoxy)-2-hydroxy-propyl]-[(2S)-2-ethylhexyl]ammonium Formula: C19H32NO4+ MolecularWeight: 338.46168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC(COC1=CC=CC(=C1)C(=O)OC)O

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]C[C@H](COC1=CC=CC(=C1)C(=O)OC)O

InChI

InChI=1S/C19H31NO4/c1-4-6-8-15(5-2)12-20-13-17(21)14-24-18-10-7-9-16(11-18)19(22)23-3/h7,9-11,15,17,20-21H,4-6,8,12-14H2,1-3H3/p+1/t15-,17+/m0/s1