N-(4-ethanoyl-1-methyl-cyclohexyl)ethanenitrilium; hydrogen sulfate

Systemtic Name: N-(4-ethanoyl-1-methyl-cyclohexyl)ethanenitrilium; hydrogen sulfate Openeye Name: N-(4-acetyl-1-methyl-cyclohexyl)acetonitrilium; hydrogen sulfate CAS Name: N-(4-acetyl-1-methylcyclohexyl)acetonitrilium; hydrogen sulfate IUPAC Name: N-(4-acetyl-1-methylcyclohexyl)acetonitrilium; hydrogen sulfate Traditional Name: N-(4-acetyl-1-methyl-cyclohexyl)acetonitrilium bisulfate Formula: C11H19NO5S MolecularWeight: 277.33726

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Descriptors Computed from Structure

Canonical SMILES:

CC#[N+]C1(CCC(CC1)C(=O)C)C.OS(=O)(=O)[O-]

Isomeric SMILES

CC#[N+]C1(CCC(CC1)C(=O)C)C.OS(=O)(=O)[O-]

InChI

InChI=1S/C11H18NO.H2O4S/c1-4-12-11(3)7-5-10(6-8-11)9(2)13;1-5(2,3)4/h10H,5-8H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1