dimethyl-[2-[[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azaniumyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azaniumyl]ethyl]azanium Openeye Name: 2-[[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]ammonio]ethyl-dimethyl-ammonium Formula: C16H30N2O2+2 MolecularWeight: 282.4216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(C[NH2+]CC[NH+](C)C)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](C[NH2+]CC[NH+](C)C)O

InChI

InChI=1S/C16H28N2O2/c1-13(2)15-7-5-6-8-16(15)20-12-14(19)11-17-9-10-18(3)4/h5-8,13-14,17,19H,9-12H2,1-4H3/p+2/t14-/m0/s1