[(2S)-3-methyl-1-[(3S)-3-methyl-4-pentanoyl-piperazin-1-yl]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-[(3S)-3-methyl-4-pentanoyl-piperazin-1-yl]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[(3S)-3-methyl-4-pentanoyl-piperazine-1-carbonyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[(3S)-3-methyl-4-(1-oxopentyl)-1-piperazinyl]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[(3S)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[(3S)-3-methyl-4-valeryl-piperazine-1-carbonyl]propyl]ammonium Formula: C15H30N3O2+ MolecularWeight: 284.4176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CCCCC(=O)N1CCN(C[C@@H]1C)C(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C15H29N3O2/c1-5-6-7-13(19)18-9-8-17(10-12(18)4)15(20)14(16)11(2)3/h11-12,14H,5-10,16H2,1-4H3/p+1/t12-,14-/m0/s1