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

Systemtic Name: 2-ethyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[(2S)-2-(1-piperazin-4-iumylmethyl)-1-pyrrolidinyl]-1-butanone IUPAC Name: 2-ethyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[(2S)-2-(piperazin-4-ium-1-ylmethyl)pyrrolidino]butan-1-one Formula: C15H30N3O+ MolecularWeight: 268.4182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O/c1-3-13(4-2)15(19)18-9-5-6-14(18)12-17-10-7-16-8-11-17/h13-14,16H,3-12H2,1-2H3/p+1/t14-/m0/s1