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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-(3-isopropoxypropyl)ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(3-isopropoxypropyl)ammonium Formula: C22H31BrNO3+ MolecularWeight: 437.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCCOC(C)C)Br)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCCOC(C)C)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C22H30BrNO3/c1-4-25-21-14-19(15-24-11-8-12-26-17(2)3)13-20(23)22(21)27-16-18-9-6-5-7-10-18/h5-7,9-10,13-14,17,24H,4,8,11-12,15-16H2,1-3H3/p+1