[(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-methylbutyl)azanium

Systemtic Name: [(1R)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(3-methylbutyl)azanium Openeye Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-isopentyl-ammonium CAS Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-methylbutyl)ammonium IUPAC Name: [(1R)-1-(5-bromo-2-hydroxyphenyl)propyl]-(3-methylbutyl)azanium Traditional Name: [(1R)-1-(5-bromo-2-hydroxy-phenyl)propyl]-isoamyl-ammonium Formula: C14H23BrNO+ MolecularWeight: 301.24252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22BrNO/c1-4-13(16-8-7-10(2)3)12-9-11(15)5-6-14(12)17/h5-6,9-10,13,16-17H,4,7-8H2,1-3H3/p+1/t13-/m1/s1