ethyl 4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(1R,3S)-3-methylcyclohexyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R,3S)-3-methylcyclohexyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H27N2O2+ MolecularWeight: 255.37638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C2CCCC(C2)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H]2CCC[C@@H](C2)C

InChI

InChI=1S/C14H26N2O2/c1-3-18-14(17)16-9-7-15(8-10-16)13-6-4-5-12(2)11-13/h12-13H,3-11H2,1-2H3/p+1/t12-,13+/m0/s1