(4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl]-methyl-ammonium Formula: C18H22BrN2O+ MolecularWeight: 362.28408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H21BrN2O/c1-14(16-6-4-3-5-7-16)20-18(22)13-21(2)12-15-8-10-17(19)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,20,22)/p+1/t14-/m0/s1