1-[(3S)-3-methylpiperidin-1-yl]-2-piperazin-4-ium-1-yl-ethane-1,2-dione

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-piperazin-4-ium-1-yl-ethane-1,2-dione Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-piperazin-4-ium-1-yl-ethane-1,2-dione CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-(1-piperazin-4-iumyl)ethane-1,2-dione IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-piperazin-4-ium-1-ylethane-1,2-dione Traditional Name: 1-[(3S)-3-methylpiperidino]-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:

CC1CCCN(C1)C(=O)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C12H21N3O2/c1-10-3-2-6-15(9-10)12(17)11(16)14-7-4-13-5-8-14/h10,13H,2-9H2,1H3/p+1/t10-/m0/s1