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

Systemtic Name: 4-phenyl-1-piperazin-4-ium-1-yl-cyclohexane-1-carbonitrile Openeye Name: 4-phenyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile CAS Name: 4-phenyl-1-(1-piperazin-4-iumyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-phenyl-1-piperazin-4-ium-1-ylcyclohexane-1-carbonitrile Traditional Name: 4-phenyl-1-piperazin-4-ium-1-yl-cyclohexanecarbonitrile Formula: C17H24N3+ MolecularWeight: 270.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)(C#N)N3CC[NH2+]CC3

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)(C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C17H23N3/c18-14-17(20-12-10-19-11-13-20)8-6-16(7-9-17)15-4-2-1-3-5-15/h1-5,16,19H,6-13H2/p+1