(2R)-2-methyl-2-piperazin-4-ium-1-yl-octanenitrile

Systemtic Name: (2R)-2-methyl-2-piperazin-4-ium-1-yl-octanenitrile Openeye Name: (2R)-2-methyl-2-piperazin-4-ium-1-yl-octanenitrile CAS Name: (2R)-2-methyl-2-(1-piperazin-4-iumyl)octanenitrile IUPAC Name: (2R)-2-methyl-2-piperazin-4-ium-1-yloctanenitrile Traditional Name: (2R)-2-methyl-2-piperazin-4-ium-1-yl-caprylonitrile Formula: C13H26N3+ MolecularWeight: 224.36564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C#N)N1CC[NH2+]CC1

Isomeric SMILES

CCCCCC[C@](C)(C#N)N1CC[NH2+]CC1

InChI

InChI=1S/C13H25N3/c1-3-4-5-6-7-13(2,12-14)16-10-8-15-9-11-16/h15H,3-11H2,1-2H3/p+1/t13-/m1/s1