3-methyl-2-(piperidin-1-ium-1-ylmethyl)-6-propan-2-yl-cyclohexan-1-one chloride

Systemtic Name: 3-methyl-2-(piperidin-1-ium-1-ylmethyl)-6-propan-2-yl-cyclohexan-1-one chloride Openeye Name: 6-isopropyl-3-methyl-2-(piperidin-1-ium-1-ylmethyl)cyclohexanone chloride CAS Name: 3-methyl-2-(1-piperidin-1-iumylmethyl)-6-propan-2-yl-1-cyclohexanone chloride IUPAC Name: 3-methyl-2-(piperidin-1-ium-1-ylmethyl)-6-propan-2-ylcyclohexan-1-one chloride Traditional Name: 6-isopropyl-3-methyl-2-(piperidin-1-ium-1-ylmethyl)cyclohexanone chloride Formula: C16H30ClNO MolecularWeight: 287.8685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1C[NH+]2CCCCC2)C(C)C.[Cl-]

Isomeric SMILES

CC1CCC(C(=O)C1C[NH+]2CCCCC2)C(C)C.[Cl-]

InChI

InChI=1S/C16H29NO.ClH/c1-12(2)14-8-7-13(3)15(16(14)18)11-17-9-5-4-6-10-17;/h12-15H,4-11H2,1-3H3;1H