2-[[(3R)-5-[(3-bromophenyl)amino]-3-methyl-5-oxidanylidene-pentanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3R)-5-[(3-bromophenyl)amino]-3-methyl-5-oxidanylidene-pentanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3R)-5-(3-bromoanilino)-3-methyl-5-oxo-pentanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3R)-5-(3-bromoanilino)-3-methyl-1,5-dioxopentyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(3R)-5-(3-bromoanilino)-3-methyl-5-oxopentanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(3R)-5-(3-bromoanilino)-5-keto-3-methyl-pentanoyl]amino]ethyl-dimethyl-ammonium Formula: C16H25BrN3O2+ MolecularWeight: 371.2926

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC[NH+](C)C)CC(=O)NC1=CC(=CC=C1)Br

Isomeric SMILES

C[C@H](CC(=O)NCC[NH+](C)C)CC(=O)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C16H24BrN3O2/c1-12(9-15(21)18-7-8-20(2)3)10-16(22)19-14-6-4-5-13(17)11-14/h4-6,11-12H,7-10H2,1-3H3,(H,18,21)(H,19,22)/p+1/t12-/m1/s1