(2S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one

Systemtic Name: (2S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one Openeye Name: (2S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-propan-1-one CAS Name: (2S)-2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-ylpropan-1-one Traditional Name: (2S)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazino-propan-1-one Formula: C14H28N3O+ MolecularWeight: 254.39162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1C(C)C(=O)N2CCNCC2)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1[C@@H](C)C(=O)N2CCNCC2)C

InChI

InChI=1S/C14H27N3O/c1-11-5-4-6-12(2)17(11)13(3)14(18)16-9-7-15-8-10-16/h11-13,15H,4-10H2,1-3H3/p+1/t11-,12-,13-/m0/s1