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

Systemtic Name: [(2S)-butan-2-yl]-[(2R)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(2R)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(2R)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]azanium Traditional Name: [(2R)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-[(1S)-1-methylpropyl]ammonium Formula: C17H29ClNO2+ MolecularWeight: 314.87066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(COC1=C(C=C(C(=C1)C)Cl)C(C)C)O

Isomeric SMILES

CC[C@H](C)[NH2+]C[C@H](COC1=C(C=C(C(=C1)C)Cl)C(C)C)O

InChI

InChI=1S/C17H28ClNO2/c1-6-13(5)19-9-14(20)10-21-17-7-12(4)16(18)8-15(17)11(2)3/h7-8,11,13-14,19-20H,6,9-10H2,1-5H3/p+1/t13-,14+/m0/s1