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

Systemtic Name: 2-ethyl-1-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)-1-piperidyl]butan-1-one CAS Name: 2-ethyl-1-[(2S)-2-[2-(1-piperazin-4-iumyl)ethyl]-1-piperidinyl]-1-butanone IUPAC Name: 2-ethyl-1-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[(2S)-2-(2-piperazin-4-ium-1-ylethyl)piperidino]butan-1-one Formula: C17H34N3O+ MolecularWeight: 296.47136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H33N3O/c1-3-15(4-2)17(21)20-11-6-5-7-16(20)8-12-19-13-9-18-10-14-19/h15-16,18H,3-14H2,1-2H3/p+1/t16-/m0/s1