[(2S)-3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]-[(2R)-6-methylheptan-2-yl]azanium

Systemtic Name: [(2S)-3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]-[(2R)-6-methylheptan-2-yl]azanium Openeye Name: [(1R)-1,5-dimethylhexyl]-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-[(2R)-6-methylheptan-2-yl]ammonium IUPAC Name: [(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-[(2R)-6-methylheptan-2-yl]azanium Traditional Name: [(1R)-1,5-dimethylhexyl]-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxy-propyl]ammonium Formula: C19H34NO3+ MolecularWeight: 324.47816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(C[NH2+]C(C)CCCC(C)C)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OC[C@H](C[NH2+][C@H](C)CCCC(C)C)O

InChI

InChI=1S/C19H33NO3/c1-5-22-18-9-11-19(12-10-18)23-14-17(21)13-20-16(4)8-6-7-15(2)3/h9-12,15-17,20-21H,5-8,13-14H2,1-4H3/p+1/t16-,17+/m1/s1