4-(2-methylbutan-2-yl)-1-piperazin-4-ium-1-yl-cyclohexane-1-carbonitrile

Systemtic Name: 4-(2-methylbutan-2-yl)-1-piperazin-4-ium-1-yl-cyclohexane-1-carbonitrile Openeye Name: 4-(1,1-dimethylpropyl)-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile CAS Name: 4-(2-methylbutan-2-yl)-1-(1-piperazin-4-iumyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-(2-methylbutan-2-yl)-1-piperazin-4-ium-1-ylcyclohexane-1-carbonitrile Traditional Name: 4-tert-amyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile Formula: C16H30N3+ MolecularWeight: 264.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3/c1-4-15(2,3)14-5-7-16(13-17,8-6-14)19-11-9-18-10-12-19/h14,18H,4-12H2,1-3H3/p+1