N-[(2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methyl-pentan-2-yl]-N-methyl-sulfamate

Systemtic Name: N-[(2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methyl-pentan-2-yl]-N-methyl-sulfamate Openeye Name: N-[(1S)-1-[(3-butylimidazol-1-ium-1-yl)methyl]-3-methyl-butyl]-N-methyl-sulfamate CAS Name: N-[(2S)-1-(3-butyl-1-imidazol-1-iumyl)-4-methylpentan-2-yl]-N-methylsulfamate IUPAC Name: N-[(2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methylpentan-2-yl]-N-methylsulfamate Traditional Name: N-[(1S)-1-[(3-butylimidazol-1-ium-1-yl)methyl]-3-methyl-butyl]-N-methyl-sulfamate Formula: C14H27N3O3S MolecularWeight: 317.44748

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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/t14-/m0/s1