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

Systemtic Name: N-[(2S)-1-(3-butylimidazol-1-ium-1-yl)-3-phenyl-propan-2-yl]-N-methyl-sulfamate Openeye Name: N-[(1S)-1-benzyl-2-(3-butylimidazol-1-ium-1-yl)ethyl]-N-methyl-sulfamate CAS Name: N-[(2S)-1-(3-butyl-1-imidazol-1-iumyl)-3-phenylpropan-2-yl]-N-methylsulfamate IUPAC Name: N-[(2S)-1-(3-butylimidazol-1-ium-1-yl)-3-phenylpropan-2-yl]-N-methylsulfamate Traditional Name: N-[(1S)-1-benzyl-2-(3-butylimidazol-1-ium-1-yl)ethyl]-N-methyl-sulfamate Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC(CC2=CC=CC=C2)N(C)S(=O)(=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@H](CC2=CC=CC=C2)N(C)S(=O)(=O)[O-]

InChI

InChI=1S/C17H25N3O3S/c1-3-4-10-19-11-12-20(15-19)14-17(18(2)24(21,22)23)13-16-8-6-5-7-9-16/h5-9,11-12,15,17H,3-4,10,13-14H2,1-2H3/t17-/m0/s1