(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-1-piperidin-1-yl-propan-1-one

Systemtic Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-1-piperidin-1-yl-propan-1-one Openeye Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-1-(1-piperidyl)propan-1-one CAS Name: (2S)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-1-(1-piperidinyl)-1-propanone IUPAC Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-1-piperidin-1-ylpropan-1-one Traditional Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-1-piperidino-propan-1-one Formula: C13H26N3O3S+ MolecularWeight: 304.42884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)N2CCCCC2

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)N2CCCCC2

InChI

InChI=1S/C13H25N3O3S/c1-12(13(17)15-7-3-2-4-8-15)11-20(18,19)16-9-5-14-6-10-16/h12,14H,2-11H2,1H3/p+1/t12-/m1/s1