1-[4-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[(3S,6S)-6-methylpiperidin-1-ium-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[(3S,6S)-6-methyl-3-piperidin-1-iumyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[(3S,6S)-6-methylpiperidin-1-ium-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[(3S,6S)-6-methylpiperidin-1-ium-3-carbonyl]piperazino]ethanone Formula: C13H24N3O2+ MolecularWeight: 254.34856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C13H23N3O2/c1-10-3-4-12(9-14-10)13(18)16-7-5-15(6-8-16)11(2)17/h10,12,14H,3-9H2,1-2H3/p+1/t10-,12-/m0/s1