[(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: [(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-[(2S)-2-hydroxypropyl]ammonium CAS Name: [(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]azanium Traditional Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-[(2S)-2-hydroxypropyl]ammonium Formula: C16H27ClNO3+ MolecularWeight: 316.84348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(C[NH2+]CC(C)O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC[C@H](C[NH2+]C[C@H](C)O)O

InChI

InChI=1S/C16H26ClNO3/c1-10(2)14-6-15(17)11(3)5-16(14)21-9-13(20)8-18-7-12(4)19/h5-6,10,12-13,18-20H,7-9H2,1-4H3/p+1/t12-,13-/m0/s1