bis(2-hydroxyethyl)-[(2S)-2-oxidanyl-3-(4-propan-2-ylphenoxy)propyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[(2S)-2-oxidanyl-3-(4-propan-2-ylphenoxy)propyl]azanium Openeye Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(4-isopropylphenoxy)propyl]ammonium CAS Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]azanium Traditional Name: bis(2-hydroxyethyl)-[(2S)-2-hydroxy-3-(4-isopropylphenoxy)propyl]ammonium Formula: C16H28NO4+ MolecularWeight: 298.39782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(C[NH+](CCO)CCO)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC[C@H](C[NH+](CCO)CCO)O

InChI

InChI=1S/C16H27NO4/c1-13(2)14-3-5-16(6-4-14)21-12-15(20)11-17(7-9-18)8-10-19/h3-6,13,15,18-20H,7-12H2,1-2H3/p+1/t15-/m0/s1