[(2S)-3-[2-(4-ethylphenoxy)ethoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium

Systemtic Name: [(2S)-3-[2-(4-ethylphenoxy)ethoxy]-2-oxidanyl-propyl]-propan-2-yl-azanium Openeye Name: [(2S)-3-[2-(4-ethylphenoxy)ethoxy]-2-hydroxy-propyl]-isopropyl-ammonium CAS Name: [(2S)-3-[2-(4-ethylphenoxy)ethoxy]-2-hydroxypropyl]-propan-2-ylammonium IUPAC Name: [(2S)-3-[2-(4-ethylphenoxy)ethoxy]-2-hydroxypropyl]-propan-2-ylazanium Traditional Name: [(2S)-3-[2-(4-ethylphenoxy)ethoxy]-2-hydroxy-propyl]-isopropyl-ammonium Formula: C16H28NO3+ MolecularWeight: 282.39842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCOCC(C[NH2+]C(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCCOC[C@H](C[NH2+]C(C)C)O

InChI

InChI=1S/C16H27NO3/c1-4-14-5-7-16(8-6-14)20-10-9-19-12-15(18)11-17-13(2)3/h5-8,13,15,17-18H,4,9-12H2,1-3H3/p+1/t15-/m0/s1