2-[(2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propanoyl)amino]ethyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H28N4O3S/c1-13(2,12(18)15-7-8-16(3)4)11-21(19,20)17-9-5-14-6-10-17/h14H,5-11H2,1-4H3,(H,15,18)/p+2