(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-(3-propan-2-yloxypropyl)azanium

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-(3-isopropoxypropyl)ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-(3-isopropoxypropyl)ammonium Formula: C21H29BrNO3+ MolecularWeight: 423.36386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

Isomeric SMILES

CC(C)OCCC[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

InChI

InChI=1S/C21H28BrNO3/c1-16(2)25-11-7-10-23-14-18-12-19(22)13-20(24-3)21(18)26-15-17-8-5-4-6-9-17/h4-6,8-9,12-13,16,23H,7,10-11,14-15H2,1-3H3/p+1