[(2S,3R)-1-[4-(butylcarbamoyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S,3R)-1-[4-(butylcarbamoyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S,2R)-1-[4-(butylcarbamoyl)piperazine-1-carbonyl]-2-methyl-butyl]ammonium CAS Name: [(2S,3R)-1-[4-[butylamino(oxo)methyl]-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S,3R)-1-[4-(butylcarbamoyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S,2R)-1-[4-(butylcarbamoyl)piperazine-1-carbonyl]-2-methyl-butyl]ammonium Formula: C15H31N4O2+ MolecularWeight: 299.43224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C(=O)C(C(C)CC)[NH3+]

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C(=O)[C@H]([C@H](C)CC)[NH3+]

InChI

InChI=1S/C15H30N4O2/c1-4-6-7-17-15(21)19-10-8-18(9-11-19)14(20)13(16)12(3)5-2/h12-13H,4-11,16H2,1-3H3,(H,17,21)/p+1/t12-,13+/m1/s1