1-methyl-4-[(1R,3R)-3-methylcyclohexyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-[(1R,3R)-3-methylcyclohexyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[(1R,3R)-3-methylcyclohexyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(1R,3R)-3-methylcyclohexyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(1R,3R)-3-methylcyclohexyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-[(1R,3R)-3-methylcyclohexyl]-1,4-diazepane-1,4-diium Formula: C13H28N2+2 MolecularWeight: 212.37482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCC[NH+](CC2)C

Isomeric SMILES

C[C@@H]1CCC[C@H](C1)[NH+]2CCC[NH+](CC2)C

InChI

InChI=1S/C13H26N2/c1-12-5-3-6-13(11-12)15-8-4-7-14(2)9-10-15/h12-13H,3-11H2,1-2H3/p+2/t12-,13-/m1/s1