3-methyl-1-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)-1-piperidyl]butan-1-one CAS Name: 3-methyl-1-[(2S)-2-[2-(1-piperazin-4-iumyl)ethyl]-1-piperidinyl]-1-butanone IUPAC Name: 3-methyl-1-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidino]butan-1-one Formula: C16H32N3O+ MolecularWeight: 282.44478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCCCC1CCN2CC[NH2+]CC2

Isomeric SMILES

CC(C)CC(=O)N1CCCC[C@H]1CCN2CC[NH2+]CC2

InChI

InChI=1S/C16H31N3O/c1-14(2)13-16(20)19-9-4-3-5-15(19)6-10-18-11-7-17-8-12-18/h14-15,17H,3-13H2,1-2H3/p+1/t15-/m0/s1