4-ethyl-1-piperazin-4-ium-1-yl-cyclohexane-1-carbonitrile

Systemtic Name: 4-ethyl-1-piperazin-4-ium-1-yl-cyclohexane-1-carbonitrile Openeye Name: 4-ethyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile CAS Name: 4-ethyl-1-(1-piperazin-4-iumyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-ethyl-1-piperazin-4-ium-1-ylcyclohexane-1-carbonitrile Traditional Name: 4-ethyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile Formula: C13H24N3+ MolecularWeight: 222.34976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)(C#N)N2CC[NH2+]CC2

Isomeric SMILES

CCC1CCC(CC1)(C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C13H23N3/c1-2-12-3-5-13(11-14,6-4-12)16-9-7-15-8-10-16/h12,15H,2-10H2,1H3/p+1