(2S)-2-cyclohexyl-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2S)-2-cyclohexyl-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2S)-2-cyclohexyl-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2S)-2-cyclohexyl-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-cyclohexyl-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2S)-2-cyclohexyl-2-piperazin-4-ium-1-yl-acetonitrile Formula: C12H22N3+ MolecularWeight: 208.32318

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#N)N2CC[NH2+]CC2

Isomeric SMILES

C1CCC(CC1)[C@@H](C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C12H21N3/c13-10-12(11-4-2-1-3-5-11)15-8-6-14-7-9-15/h11-12,14H,1-9H2/p+1/t12-/m1/s1