(3-cyano-4-methyl-3-phenyl-pentyl)-dimethyl-azanium; N-cyclohexylsulfamate

Systemtic Name: (3-cyano-4-methyl-3-phenyl-pentyl)-dimethyl-azanium; N-cyclohexylsulfamate Openeye Name: (3-cyano-4-methyl-3-phenyl-pentyl)-dimethyl-ammonium; N-cyclohexylsulfamate CAS Name: (3-cyano-4-methyl-3-phenylpentyl)-dimethylammonium; N-cyclohexylsulfamate IUPAC Name: (3-cyano-4-methyl-3-phenylpentyl)-dimethylazanium; N-cyclohexylsulfamate Traditional Name: (3-cyano-4-methyl-3-phenyl-pentyl)-dimethyl-ammonium; N-cyclohexylsulfamate Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH+](C)C)(C#N)C1=CC=CC=C1.C1CCC(CC1)NS(=O)(=O)[O-]

Isomeric SMILES

CC(C)C(CC[NH+](C)C)(C#N)C1=CC=CC=C1.C1CCC(CC1)NS(=O)(=O)[O-]

InChI

InChI=1S/C15H22N2.C6H13NO3S/c1-13(2)15(12-16,10-11-17(3)4)14-8-6-5-7-9-14;8-11(9,10)7-6-4-2-1-3-5-6/h5-9,13H,10-11H2,1-4H3;6-7H,1-5H2,(H,8,9,10)