(4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium

Systemtic Name: (4-bromophenyl)methyl-methyl-[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium Openeye Name: (4-bromophenyl)methyl-methyl-[2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl]ammonium CAS Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]ammonium IUPAC Name: (4-bromophenyl)methyl-methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]azanium Traditional Name: (4-bromobenzyl)-[2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl]-methyl-ammonium Formula: C20H26BrN2O+ MolecularWeight: 390.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H25BrN2O/c1-16(8-9-17-6-4-3-5-7-17)22-20(24)15-23(2)14-18-10-12-19(21)13-11-18/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,22,24)/p+1/t16-/m0/s1