[(2S)-1-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[4-[2-(diethylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[4-[2-(diethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[4-[2-(diethylamino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]-3-methyl-butyl]ammonium Formula: C16H34N4O2+2 MolecularWeight: 314.46676

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C(CC(C)C)[NH3+]

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)[C@H](CC(C)C)[NH3+]

InChI

InChI=1S/C16H32N4O2/c1-5-19(6-2)15(21)12-18-7-9-20(10-8-18)16(22)14(17)11-13(3)4/h13-14H,5-12,17H2,1-4H3/p+2/t14-/m0/s1