3-[[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]ammonio]propyl-dimethyl-ammonium Formula: C19H36N2O3+2 MolecularWeight: 340.50074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(C[NH2+]CCC[NH+](C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C19H34N2O3/c1-19(2,3)17-12-16(23-6)8-9-18(17)24-14-15(22)13-20-10-7-11-21(4)5/h8-9,12,15,20,22H,7,10-11,13-14H2,1-6H3/p+2/t15-/m0/s1