(2S)-3-methyl-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-butan-1-one

Systemtic Name: (2S)-3-methyl-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-butan-1-one Openeye Name: (2S)-3-methyl-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-butan-1-one CAS Name: (2S)-3-methyl-1-(1-piperazinyl)-2-(1-piperidin-1-iumyl)-1-butanone IUPAC Name: (2S)-3-methyl-1-piperazin-1-yl-2-piperidin-1-ium-1-ylbutan-1-one Traditional Name: (2S)-3-methyl-1-piperazino-2-piperidin-1-ium-1-yl-butan-1-one Formula: C14H28N3O+ MolecularWeight: 254.39162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCNCC1)[NH+]2CCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCNCC1)[NH+]2CCCCC2

InChI

InChI=1S/C14H27N3O/c1-12(2)13(16-8-4-3-5-9-16)14(18)17-10-6-15-7-11-17/h12-13,15H,3-11H2,1-2H3/p+1/t13-/m0/s1