(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1R)-1-(2-methylphenyl)ethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1R)-1-(2-methylphenyl)ethyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1R)-1-(o-tolyl)ethyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1R)-1-(2-methylphenyl)ethyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1R)-1-(2-methylphenyl)ethyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1R)-1-(o-tolyl)ethyl]ammonium Formula: C17H21BrNO2+ MolecularWeight: 351.25814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

CC1=CC=CC=C1[C@@H](C)[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C17H20BrNO2/c1-11-6-4-5-7-14(11)12(2)19-10-13-8-15(18)17(20)16(9-13)21-3/h4-9,12,19-20H,10H2,1-3H3/p+1/t12-/m1/s1