bis[(2R)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: bis[(2R)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: bis[(2R)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: bis[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]ammonium IUPAC Name: bis[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]azanium Traditional Name: bis[(2R)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]ammonium Formula: C20H26Cl2NO4+ MolecularWeight: 415.33074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(C[NH2+]CC(COC2=CC(=C(C=C2)Cl)C)O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@@H](C[NH2+]C[C@H](COC2=CC(=C(C=C2)Cl)C)O)O)Cl

InChI

InChI=1S/C20H25Cl2NO4/c1-13-7-17(3-5-19(13)21)26-11-15(24)9-23-10-16(25)12-27-18-4-6-20(22)14(2)8-18/h3-8,15-16,23-25H,9-12H2,1-2H3/p+1/t15-,16-/m1/s1