(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-propan-2-yloxypropyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-(3-isopropoxypropyl)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-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(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO3/c1-16(2)25-11-7-10-23-14-18-12-19(22)21(20(13-18)24-3)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