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

Systemtic Name: [(2S)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]-[(2R)-4-oxidanylbutan-2-yl]azanium Openeye Name: [(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-[(1R)-3-hydroxy-1-methyl-propyl]ammonium CAS Name: [(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(2R)-4-hydroxybutan-2-yl]ammonium IUPAC Name: [(2S)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-[(2R)-4-hydroxybutan-2-yl]azanium Traditional Name: [(2S)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]-[(1R)-3-hydroxy-1-methyl-propyl]ammonium Formula: C14H23ClNO3+ MolecularWeight: 288.79032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClNO3/c1-10-7-13(3-4-14(10)15)19-9-12(18)8-16-11(2)5-6-17/h3-4,7,11-12,16-18H,5-6,8-9H2,1-2H3/p+1/t11-,12+/m1/s1