(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-propyl-azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-propyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-propyl-ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-propylammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-propylazanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-propyl-ammonium Formula: C19H25BrNO2+ MolecularWeight: 379.3113

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C19H24BrNO2/c1-3-10-21-13-16-11-17(20)19(18(12-16)22-4-2)23-14-15-8-6-5-7-9-15/h5-9,11-12,21H,3-4,10,13-14H2,1-2H3/p+1