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

Systemtic Name: (2-bromophenyl)methyl-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (2-bromophenyl)methyl-[(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-bromophenyl)methyl-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (2-bromophenyl)methyl-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (2-bromobenzyl)-[(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H19BrN3O+ MolecularWeight: 373.26696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)CC2=CC=CC=C2Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)CC2=CC=CC=C2Br

InChI

InChI=1S/C18H18BrN3O/c1-13(22(2)12-15-5-3-4-6-17(15)19)18(23)21-16-9-7-14(11-20)8-10-16/h3-10,13H,12H2,1-2H3,(H,21,23)/p+1/t13-/m1/s1