[(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-pentan-3-yl-azanium

Systemtic Name: [(2R)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-pentan-3-yl-azanium Openeye Name: [(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-(1-ethylpropyl)ammonium CAS Name: [(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-pentan-3-ylammonium IUPAC Name: [(2R)-3-(4-bromophenoxy)-2-hydroxypropyl]-pentan-3-ylazanium Traditional Name: [(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-(1-ethylpropyl)ammonium Formula: C14H23BrNO2+ MolecularWeight: 317.24192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22BrNO2/c1-3-12(4-2)16-9-13(17)10-18-14-7-5-11(15)6-8-14/h5-8,12-13,16-17H,3-4,9-10H2,1-2H3/p+1/t13-/m1/s1