[(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-[(2R)-1-cyclopropylpropan-2-yl]azanium

Systemtic Name: [(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-[(2R)-1-cyclopropylpropan-2-yl]azanium Openeye Name: [(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-[(1R)-2-cyclopropyl-1-methyl-ethyl]ammonium CAS Name: [(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(2R)-1-cyclopropylpropan-2-yl]ammonium IUPAC Name: [(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(2R)-1-cyclopropylpropan-2-yl]azanium Traditional Name: [(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-[(1R)-2-cyclopropyl-1-methyl-ethyl]ammonium Formula: C16H25ClNO2+ MolecularWeight: 298.8282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClNO2/c1-11-7-15(5-6-16(11)17)20-10-14(19)9-18-12(2)8-13-3-4-13/h5-7,12-14,18-19H,3-4,8-10H2,1-2H3/p+1/t12-,14+/m1/s1