(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-3-methyl-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-3-methyl-1-piperazino-butan-1-one Formula: C16H32N3O+ MolecularWeight: 282.44478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C(C)C)C(=O)N2CCNCC2)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)[C@@H](C(C)C)C(=O)N2CCNCC2)C

InChI

InChI=1S/C16H31N3O/c1-12(2)15(16(20)18-7-5-17-6-8-18)19-10-13(3)9-14(4)11-19/h12-15,17H,5-11H2,1-4H3/p+1/t13-,14-,15+/m1/s1