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

Systemtic Name: N-[(2S)-1-(3-butylimidazol-1-ium-1-yl)-3-methyl-butan-2-yl]-N-methyl-sulfamate Openeye Name: N-[(1S)-1-[(3-butylimidazol-1-ium-1-yl)methyl]-2-methyl-propyl]-N-methyl-sulfamate CAS Name: N-[(2S)-1-(3-butyl-1-imidazol-1-iumyl)-3-methylbutan-2-yl]-N-methylsulfamate IUPAC Name: N-[(2S)-1-(3-butylimidazol-1-ium-1-yl)-3-methylbutan-2-yl]-N-methylsulfamate Traditional Name: N-[(1S)-1-[(3-butylimidazol-1-ium-1-yl)methyl]-2-methyl-propyl]-N-methyl-sulfamate Formula: C13H25N3O3S MolecularWeight: 303.4209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N3O3S/c1-5-6-7-15-8-9-16(11-15)10-13(12(2)3)14(4)20(17,18)19/h8-9,11-13H,5-7,10H2,1-4H3/t13-/m1/s1