(4-bromophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]azanium Openeye Name: [(1S)-1-(benzylcarbamoyl)propyl]-[(4-bromophenyl)methyl]-methyl-ammonium CAS Name: (4-bromophenyl)methyl-methyl-[(2S)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl]ammonium IUPAC Name: [(2S)-1-(benzylamino)-1-oxobutan-2-yl]-[(4-bromophenyl)methyl]-methylazanium Traditional Name: [(1S)-1-(benzylcarbamoyl)propyl]-(4-bromobenzyl)-methyl-ammonium Formula: C19H24BrN2O+ MolecularWeight: 376.31066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O/c1-3-18(19(23)21-13-15-7-5-4-6-8-15)22(2)14-16-9-11-17(20)12-10-16/h4-12,18H,3,13-14H2,1-2H3,(H,21,23)/p+1/t18-/m0/s1