1-[(2S)-2-ethylpiperidin-1-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2,2-dimethyl-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: 1-[(2S)-2-ethylpiperidino]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C16H32N3O3S+ MolecularWeight: 346.50858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)(C)CS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C(C)(C)CS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H31N3O3S/c1-4-14-7-5-6-10-19(14)15(20)16(2,3)13-23(21,22)18-11-8-17-9-12-18/h14,17H,4-13H2,1-3H3/p+1/t14-/m0/s1