(4-bromophenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]azanium Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-[(4-bromophenyl)methyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-methyl-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]ammonium IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl]-[(4-bromophenyl)methyl]-methylazanium Traditional Name: [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl]-(4-bromobenzyl)-methyl-ammonium Formula: C18H22BrN2O+ MolecularWeight: 362.28408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+](C)CC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)[NH+](C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H21BrN2O/c1-14(18(22)20-12-15-6-4-3-5-7-15)21(2)13-16-8-10-17(19)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,20,22)/p+1/t14-/m1/s1