(2R)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]azepan-1-ium

Systemtic Name: (2R)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]azepan-1-ium Openeye Name: (2R)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]azepan-1-ium CAS Name: (2R)-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]azepan-1-ium IUPAC Name: (2R)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]azepan-1-ium Traditional Name: (2R)-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]azepan-1-ium Formula: C12H28N3+3 MolecularWeight: 214.37082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2CCCCC[NH2+]2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)C[C@H]2CCCCC[NH2+]2

InChI

InChI=1S/C12H25N3/c1-14-7-9-15(10-8-14)11-12-5-3-2-4-6-13-12/h12-13H,2-11H2,1H3/p+3/t12-/m1/s1