[(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-[(2R)-1-methoxypropan-2-yl]azanium

Systemtic Name: [(2S)-3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]-[(2R)-1-methoxypropan-2-yl]azanium Openeye Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-[(1R)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-[(2R)-1-methoxypropan-2-yl]ammonium IUPAC Name: [(2S)-3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-2-hydroxypropyl]-[(2R)-1-methoxypropan-2-yl]azanium Traditional Name: [(2S)-3-(4-chloro-2-isopropyl-5-methyl-phenoxy)-2-hydroxy-propyl]-[(1R)-2-methoxy-1-methyl-ethyl]ammonium Formula: C17H29ClNO3+ MolecularWeight: 330.87006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28ClNO3/c1-11(2)15-7-16(18)12(3)6-17(15)22-10-14(20)8-19-13(4)9-21-5/h6-7,11,13-14,19-20H,8-10H2,1-5H3/p+1/t13-,14+/m1/s1