dimethyl-[3-[[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[(2S)-2-methyl-1-oxo-3-(1-piperazin-4-iumylsulfonyl)propyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanoyl]amino]propyl]azanium Traditional Name: dimethyl-[3-[[(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl]amino]propyl]ammonium Formula: C13H30N4O3S+2 MolecularWeight: 322.4673

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H28N4O3S/c1-12(13(18)15-5-4-8-16(2)3)11-21(19,20)17-9-6-14-7-10-17/h12,14H,4-11H2,1-3H3,(H,15,18)/p+2/t12-/m1/s1