1-(azepan-1-yl)-2-piperazine-1,4-diium-1-yl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-piperazine-1,4-diium-1-yl-ethanone Openeye Name: 1-(azepan-1-yl)-2-piperazine-1,4-diium-1-yl-ethanone CAS Name: 1-(1-azepanyl)-2-(1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-piperazine-1,4-diium-1-ylethanone Traditional Name: 1-(azepan-1-yl)-2-piperazine-1,4-diium-1-yl-ethanone Formula: C12H25N3O+2 MolecularWeight: 227.3464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CC[NH2+]CC2

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C12H23N3O/c16-12(11-14-9-5-13-6-10-14)15-7-3-1-2-4-8-15/h13H,1-11H2/p+2