(5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-keto-2-(3-phenylpropylamino)ethyl]-methyl-ammonium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C20H25BrN2O2/c1-23(14-17-13-18(21)10-11-19(17)25-2)15-20(24)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,22,24)/p+1