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

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-(2-diethylaminoethyl)ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)ammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-(2-diethylaminoethyl)azanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-(2-diethylaminoethyl)ammonium Formula: C21H30BrN2O+ MolecularWeight: 406.3797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BrN2O/c1-4-24(5-2)13-12-23-15-19-14-20(22)10-11-21(19)25-16-18-8-6-17(3)7-9-18/h6-11,14,23H,4-5,12-13,15-16H2,1-3H3/p+1