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

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-(3-isopropoxypropyl)ammonium Formula: C21H29BrNO2+ MolecularWeight: 407.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCCOC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CCCOC(C)C

InChI

InChI=1S/C21H28BrNO2/c1-16(2)24-12-4-11-23-14-19-13-20(22)9-10-21(19)25-15-18-7-5-17(3)6-8-18/h5-10,13,16,23H,4,11-12,14-15H2,1-3H3/p+1