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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-(3-isopropoxypropyl)ammonium Formula: C22H31BrNO3+ MolecularWeight: 437.39044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrNO3/c1-16(2)26-11-5-10-24-14-19-12-20(23)22(21(13-19)25-4)27-15-18-8-6-17(3)7-9-18/h6-9,12-13,16,24H,5,10-11,14-15H2,1-4H3/p+1