[(2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methyl-pentan-2-yl]-methyl-sulfamic acid

Systemtic Name: [(2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methyl-pentan-2-yl]-methyl-sulfamic acid Openeye Name: [(1S)-1-[(3-butylimidazol-1-ium-1-yl)methyl]-3-methyl-butyl]-methyl-sulfamic acid CAS Name: [(2S)-1-(3-butyl-1-imidazol-1-iumyl)-4-methylpentan-2-yl]-methylsulfamic acid IUPAC Name: [(2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methylpentan-2-yl]-methylsulfamic acid Traditional Name: [(1S)-1-[(3-butylimidazol-1-ium-1-yl)methyl]-3-methyl-butyl]-methyl-sulfamic acid Formula: C14H28N3O3S+ MolecularWeight: 318.45542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC(CC(C)C)N(C)S(=O)(=O)O

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@H](CC(C)C)N(C)S(=O)(=O)O

InChI

InChI=1S/C14H27N3O3S/c1-5-6-7-16-8-9-17(12-16)11-14(10-13(2)3)15(4)21(18,19)20/h8-9,12-14H,5-7,10-11H2,1-4H3/p+1/t14-/m0/s1