4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-[(2S,6S)-2,6-dimethylmorpholino]-1-piperazin-4-ium-1-yl-butan-1-one Formula: C14H28N3O2+ MolecularWeight: 270.39102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)CCCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)CCCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C14H27N3O2/c1-12-10-16(11-13(2)19-12)7-3-4-14(18)17-8-5-15-6-9-17/h12-13,15H,3-11H2,1-2H3/p+1/t12-,13-/m0/s1