(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2R)-6-methylheptan-2-yl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2R)-6-methylheptan-2-yl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1R)-1,5-dimethylhexyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2R)-6-methylheptan-2-yl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2R)-6-methylheptan-2-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1R)-1,5-dimethylhexyl]ammonium Formula: C16H27BrNO2+ MolecularWeight: 345.29508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

C[C@H](CCCC(C)C)[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C16H26BrNO2/c1-11(2)6-5-7-12(3)18-10-13-8-14(17)16(19)15(9-13)20-4/h8-9,11-12,18-19H,5-7,10H2,1-4H3/p+1/t12-/m1/s1