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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(2-diethylaminoethyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-(2-diethylaminoethyl)ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(2-diethylaminoethyl)ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(2-diethylaminoethyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(2-diethylaminoethyl)ammonium Formula: C22H32BrN2O2+ MolecularWeight: 436.40568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN2O2/c1-4-25(5-2)13-12-24-16-19-14-20(23)22(21(15-19)26-6-3)27-17-18-10-8-7-9-11-18/h7-11,14-15,24H,4-6,12-13,16-17H2,1-3H3/p+1