1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(2R)-piperidin-1-ium-2-yl]ethanone

Systemtic Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(2R)-piperidin-1-ium-2-yl]ethanone Openeye Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(2R)-piperidin-1-ium-2-yl]ethanone CAS Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(2R)-2-piperidin-1-iumyl]ethanone IUPAC Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(2R)-piperidin-1-ium-2-yl]ethanone Traditional Name: 1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-[(2R)-piperidin-1-ium-2-yl]ethanone Formula: C13H27N3O+2 MolecularWeight: 241.37298

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CC2CCCC[NH2+]2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C[C@H]2CCCC[NH2+]2

InChI

InChI=1S/C13H25N3O/c1-15-7-4-8-16(10-9-15)13(17)11-12-5-2-3-6-14-12/h12,14H,2-11H2,1H3/p+2/t12-/m1/s1