2,2-dimethyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[(2S)-2-(1-piperazin-4-iumylmethyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidino]propan-1-one Formula: C14H28N3O+ MolecularWeight: 254.39162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCCC1CN2CC[NH2+]CC2

Isomeric SMILES

CC(C)(C)C(=O)N1CCC[C@H]1CN2CC[NH2+]CC2

InChI

InChI=1S/C14H27N3O/c1-14(2,3)13(18)17-8-4-5-12(17)11-16-9-6-15-7-10-16/h12,15H,4-11H2,1-3H3/p+1/t12-/m0/s1