[(2S)-3-(2-bromanyl-4-chloranyl-6-methyl-phenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-3-(2-bromanyl-4-chloranyl-6-methyl-phenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-3-(2-bromo-4-chloro-6-methyl-phenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(2-bromo-4-chloro-6-methylphenoxy)-2-hydroxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-3-(2-bromo-4-chloro-6-methylphenoxy)-2-hydroxypropyl]azanium Traditional Name: benzyl-[(2S)-3-(2-bromo-4-chloro-6-methyl-phenoxy)-2-hydroxy-propyl]ammonium Formula: C17H20BrClNO2+ MolecularWeight: 385.7032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(C[NH2+]CC2=CC=CC=C2)O)Br)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC[C@H](C[NH2+]CC2=CC=CC=C2)O)Br)Cl

InChI

InChI=1S/C17H19BrClNO2/c1-12-7-14(19)8-16(18)17(12)22-11-15(21)10-20-9-13-5-3-2-4-6-13/h2-8,15,20-21H,9-11H2,1H3/p+1/t15-/m0/s1