1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one

Systemtic Name: 1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one Openeye Name: 1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one CAS Name: 1-[(2S)-2-(1-piperazin-4-iumylmethyl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one Traditional Name: 1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidino]butan-1-one Formula: C13H26N3O+ MolecularWeight: 240.36504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCCC1CN2CC[NH2+]CC2

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O/c1-2-4-13(17)16-8-3-5-12(16)11-15-9-6-14-7-10-15/h12,14H,2-11H2,1H3/p+1/t12-/m0/s1