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

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C14H30N4O3S+2 MolecularWeight: 334.478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)CS(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)CS(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C14H28N4O3S/c1-3-16-8-10-17(11-9-16)14(19)13(2)12-22(20,21)18-6-4-15-5-7-18/h13,15H,3-12H2,1-2H3/p+2/t13-/m1/s1