[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2-methylpropyl)azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2-methylpropyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-isobutyl-ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2-methylpropyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(2-methylpropyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-isobutyl-ammonium Formula: C20H27BrNO2+ MolecularWeight: 393.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CC(C)C)OC

InChI

InChI=1S/C20H26BrNO2/c1-14(2)11-22-12-17-9-18(21)20(19(10-17)23-4)24-13-16-7-5-15(3)6-8-16/h5-10,14,22H,11-13H2,1-4H3/p+1