1-[(1R,2S)-2-methylcyclohexyl]piperidin-1-ium-4-one

Systemtic Name: 1-[(1R,2S)-2-methylcyclohexyl]piperidin-1-ium-4-one Openeye Name: 1-[(1R,2S)-2-methylcyclohexyl]piperidin-1-ium-4-one CAS Name: 1-[(1R,2S)-2-methylcyclohexyl]-4-piperidin-1-iumone IUPAC Name: 1-[(1R,2S)-2-methylcyclohexyl]piperidin-1-ium-4-one Traditional Name: 1-[(1R,2S)-2-methylcyclohexyl]piperidin-1-ium-4-one Formula: C12H22NO+ MolecularWeight: 196.30918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH+]2CCC(=O)CC2

Isomeric SMILES

C[C@H]1CCCC[C@H]1[NH+]2CCC(=O)CC2

InChI

InChI=1S/C12H21NO/c1-10-4-2-3-5-12(10)13-8-6-11(14)7-9-13/h10,12H,2-9H2,1H3/p+1/t10-,12+/m0/s1