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

Systemtic Name: N-[(2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methyl-pentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfamate Openeye Name: N-tert-butoxycarbonyl-N-[(1S)-1-[(3-butylimidazol-1-ium-1-yl)methyl]-3-methyl-butyl]sulfamate CAS Name: N-[(2S)-1-(3-butyl-1-imidazol-1-iumyl)-4-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxy-oxomethyl]sulfamate IUPAC Name: N-[(2S)-1-(3-butylimidazol-1-ium-1-yl)-4-methylpentan-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]sulfamate Traditional Name: N-tert-butoxycarbonyl-N-[(1S)-1-[(3-butylimidazol-1-ium-1-yl)methyl]-3-methyl-butyl]sulfamate Formula: C18H33N3O5S MolecularWeight: 403.53672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H33N3O5S/c1-7-8-9-19-10-11-20(14-19)13-16(12-15(2)3)21(27(23,24)25)17(22)26-18(4,5)6/h10-11,14-16H,7-9,12-13H2,1-6H3/t16-/m0/s1