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

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)methyl-[(4-methylphenyl)methyl]azanium Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)methyl-(p-tolylmethyl)ammonium CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)methyl-[(4-methylphenyl)methyl]azanium Traditional Name: (3-bromo-4-ethoxy-5-methoxy-benzyl)-(4-methylbenzyl)ammonium Formula: C18H23BrNO2+ MolecularWeight: 365.28472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C[NH2+]CC2=CC=C(C=C2)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C[NH2+]CC2=CC=C(C=C2)C)OC

InChI

InChI=1S/C18H22BrNO2/c1-4-22-18-16(19)9-15(10-17(18)21-3)12-20-11-14-7-5-13(2)6-8-14/h5-10,20H,4,11-12H2,1-3H3/p+1