(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(3-methylphenyl)methyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(3-methylphenyl)methyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(m-tolylmethyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(3-methylphenyl)methyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(3-methylphenyl)methyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(3-methylbenzyl)ammonium Formula: C16H19BrNO2+ MolecularWeight: 337.23156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrNO2/c1-11-4-3-5-12(6-11)9-18-10-13-7-14(17)16(19)15(8-13)20-2/h3-8,18-19H,9-10H2,1-2H3/p+1