[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-pentyl]azanium

Systemtic Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-pentyl]azanium Openeye Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-pentyl]ammonium CAS Name: [(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-4-methylpentyl]ammonium IUPAC Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-methylpentyl]azanium Traditional Name: [(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-pentyl]ammonium Formula: C12H29N3+2 MolecularWeight: 215.37876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27N3/c1-4-14-5-7-15(8-6-14)12(10-13)9-11(2)3/h11-12H,4-10,13H2,1-3H3/p+2/t12-/m0/s1