[(2S)-1-oxidanylidene-1-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-4-ium-1-yl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-oxidanylidene-1-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-4-ium-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-[4-(2-anilino-2-oxo-ethyl)piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[4-(2-anilino-2-oxoethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(2-anilino-2-oxoethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[4-(2-anilino-2-keto-ethyl)piperazin-4-ium-1-yl]-2-keto-1-methyl-ethyl]ammonium Formula: C15H24N4O2+2 MolecularWeight: 292.37666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C15H22N4O2/c1-12(16)15(21)19-9-7-18(8-10-19)11-14(20)17-13-5-3-2-4-6-13/h2-6,12H,7-11,16H2,1H3,(H,17,20)/p+2/t12-/m0/s1