(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(2-diethylaminoethyl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(2-diethylaminoethyl)azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(2-diethylaminoethyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(2-diethylaminoethyl)ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(2-diethylaminoethyl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-(2-diethylaminoethyl)ammonium Formula: C20H28BrN2O+ MolecularWeight: 392.35312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O/c1-3-23(4-2)13-12-22-15-18-14-19(21)10-11-20(18)24-16-17-8-6-5-7-9-17/h5-11,14,22H,3-4,12-13,15-16H2,1-2H3/p+1