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

Systemtic Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-butan-1-one Openeye Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-yl-butan-1-one CAS Name: 4-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-(1-piperazinyl)-1-butanone IUPAC Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazin-1-ylbutan-1-one Traditional Name: 4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-piperazino-butan-1-one Formula: C15H30N3O+ MolecularWeight: 268.4182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N3O/c1-13-5-3-6-14(2)18(13)10-4-7-15(19)17-11-8-16-9-12-17/h13-14,16H,3-12H2,1-2H3/p+1/t13-,14-/m0/s1