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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-butyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-butyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-butylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-butylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-butyl-ammonium Formula: C21H29BrNO2+ MolecularWeight: 407.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C21H28BrNO2/c1-4-6-11-23-14-18-12-19(22)21(20(13-18)24-5-2)25-15-17-9-7-16(3)8-10-17/h7-10,12-13,23H,4-6,11,14-15H2,1-3H3/p+1