2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethanoylamino]ethyliminomethylazanium

Systemtic Name: 2-[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)ethanoylamino]ethyliminomethylazanium Openeye Name: 2-[[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)acetyl]amino]ethyliminomethylammonium CAS Name: 2-[[1-oxo-2-(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)ethyl]amino]ethyliminomethylammonium IUPAC Name: 2-[[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)acetyl]amino]ethyliminomethylazanium Traditional Name: 2-[[2-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)acetyl]amino]ethyliminomethylammonium Formula: C12H28N5O+3 MolecularWeight: 258.38362

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC[N+](CC1)(C)CC(=O)NCCN=C[NH3+])C

Isomeric SMILES

C[N+]1(CC[N+](CC1)(C)CC(=O)NCCN=C[NH3+])C

InChI

InChI=1S/C12H26N5O/c1-16(2)6-8-17(3,9-7-16)10-12(18)15-5-4-14-11-13/h11H,4-10H2,1-3H3,(H2-,13,14,15,18)/q+1/p+2