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

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-propyl-azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-propyl-ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-propylammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-propylazanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-propyl-ammonium Formula: C18H23BrNO+ MolecularWeight: 349.28532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO/c1-3-10-20-12-16-11-17(19)8-9-18(16)21-13-15-6-4-14(2)5-7-15/h4-9,11,20H,3,10,12-13H2,1-2H3/p+1