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

Systemtic Name: 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Openeye Name: 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium CAS Name: 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium IUPAC Name: 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Traditional Name: 1-ethyl-4-[(1S,3S)-3-methylcyclohexyl]piperazin-4-ium Formula: C13H27N2+ MolecularWeight: 211.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2CCCC(C2)C

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H]2CCC[C@@H](C2)C

InChI

InChI=1S/C13H26N2/c1-3-14-7-9-15(10-8-14)13-6-4-5-12(2)11-13/h12-13H,3-11H2,1-2H3/p+1/t12-,13-/m0/s1