1-(azepan-1-yl)-2-piperazin-4-ium-1-yl-ethane-1,2-dione

Systemtic Name: 1-(azepan-1-yl)-2-piperazin-4-ium-1-yl-ethane-1,2-dione Openeye Name: 1-(azepan-1-yl)-2-piperazin-4-ium-1-yl-ethane-1,2-dione CAS Name: 1-(1-azepanyl)-2-(1-piperazin-4-iumyl)ethane-1,2-dione IUPAC Name: 1-(azepan-1-yl)-2-piperazin-4-ium-1-ylethane-1,2-dione Traditional Name: 1-(azepan-1-yl)-2-piperazin-4-ium-1-yl-ethane-1,2-dione Formula: C12H22N3O2+ MolecularWeight: 240.32198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

C1CCCN(CC1)C(=O)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H21N3O2/c16-11(14-7-3-1-2-4-8-14)12(17)15-9-5-13-6-10-15/h13H,1-10H2/p+1