4-tert-butyl-1-piperazin-4-ium-1-yl-cyclohexane-1-carbonitrile

Systemtic Name: 4-tert-butyl-1-piperazin-4-ium-1-yl-cyclohexane-1-carbonitrile Openeye Name: 4-tert-butyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile CAS Name: 4-tert-butyl-1-(1-piperazin-4-iumyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-tert-butyl-1-piperazin-4-ium-1-ylcyclohexane-1-carbonitrile Traditional Name: 4-tert-butyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile Formula: C15H28N3+ MolecularWeight: 250.40292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27N3/c1-14(2,3)13-4-6-15(12-16,7-5-13)18-10-8-17-9-11-18/h13,17H,4-11H2,1-3H3/p+1