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

Systemtic Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidyl]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: 1-[(2S,6S)-2,6-dimethylpiperidino]-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C14H28N3O3S+ MolecularWeight: 318.45542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H27N3O3S/c1-12-4-3-5-13(2)17(12)14(18)6-11-21(19,20)16-9-7-15-8-10-16/h12-13,15H,3-11H2,1-2H3/p+1/t12-,13-/m0/s1