1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one

Systemtic Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2,2-dimethyl-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: 1-[(2S,6S)-2,6-dimethylpiperidino]-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:

CC1CCCC(N1C(=O)C(C)(C)CS(=O)(=O)N2CC[NH2+]CC2)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)C(C)(C)CS(=O)(=O)N2CC[NH2+]CC2)C

InChI

InChI=1S/C16H31N3O3S/c1-13-6-5-7-14(2)19(13)15(20)16(3,4)12-23(21,22)18-10-8-17-9-11-18/h13-14,17H,5-12H2,1-4H3/p+1/t13-,14-/m0/s1