[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(2-dimethylaminoethyl)azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-(2-dimethylaminoethyl)azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-(2-dimethylaminoethyl)ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(2-dimethylaminoethyl)ammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-(2-dimethylaminoethyl)azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-(2-dimethylaminoethyl)ammonium Formula: C18H23Br2N2O+ MolecularWeight: 443.19602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22Br2N2O/c1-22(2)9-8-21-12-15-10-16(19)18(17(20)11-15)23-13-14-6-4-3-5-7-14/h3-7,10-11,21H,8-9,12-13H2,1-2H3/p+1