(2S)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-3-methyl-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-3-methyl-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-3-methyl-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]-3-methyl-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]-3-methyl-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-2-[(2S)-2-ethylpiperidin-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:

CCC1CCCC[NH+]1C(C(C)C)C(=O)N2CCNCC2

Isomeric SMILES

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

InChI

InChI=1S/C16H31N3O/c1-4-14-7-5-6-10-19(14)15(13(2)3)16(20)18-11-8-17-9-12-18/h13-15,17H,4-12H2,1-3H3/p+1/t14-,15-/m0/s1