[(2R)-1-cyclopropylpropan-2-yl]-[(2S)-3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(2R)-1-cyclopropylpropan-2-yl]-[(2S)-3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(1R)-2-cyclopropyl-1-methyl-ethyl]-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2R)-1-cyclopropylpropan-2-yl]-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2R)-1-cyclopropylpropan-2-yl]-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(1R)-2-cyclopropyl-1-methyl-ethyl]-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH2+]C(C)CC2CC2)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](C[NH2+][C@H](C)CC2CC2)O)C

InChI

InChI=1S/C17H27NO2/c1-12-4-7-17(13(2)8-12)20-11-16(19)10-18-14(3)9-15-5-6-15/h4,7-8,14-16,18-19H,5-6,9-11H2,1-3H3/p+1/t14-,16+/m1/s1