4-[[1-(cyclohexyliminomethylidene)azetidin-1-ium-2-yl]-dimethyl-azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[[1-(cyclohexyliminomethylidene)azetidin-1-ium-2-yl]-dimethyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[[1-(cyclohexyliminomethylene)azetidin-1-ium-2-yl]-dimethyl-ammonio]butane-1-sulfonate CAS Name: 4-[[1-(cyclohexyliminomethylidene)-2-azetidin-1-iumyl]-dimethylammonio]-1-butanesulfonate IUPAC Name: 4-[[1-(cyclohexyliminomethylidene)azetidin-1-ium-2-yl]-dimethylazaniumyl]butane-1-sulfonate Traditional Name: 4-[[1-(cyclohexyliminomethylene)azetidin-1-ium-2-yl]-dimethyl-ammonio]butane-1-sulfonate Formula: C16H30N3O3S+ MolecularWeight: 344.4927

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCS(=O)(=O)[O-])C1CC[N+]1=C=NC2CCCCC2

Isomeric SMILES

C[N+](C)(CCCCS(=O)(=O)[O-])C1CC[N+]1=C=NC2CCCCC2

InChI

InChI=1S/C16H30N3O3S/c1-19(2,12-6-7-13-23(20,21)22)16-10-11-18(16)14-17-15-8-4-3-5-9-15/h15-16H,3-13H2,1-2H3/q+1