1-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]cyclohexane-1-carbonitrile

Systemtic Name: 1-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]cyclohexane-1-carbonitrile Openeye Name: 1-(4-benzoylpiperazin-1-ium-1-yl)cyclohexanecarbonitrile CAS Name: 1-(4-benzoyl-1-piperazin-1-iumyl)-1-cyclohexanecarbonitrile IUPAC Name: 1-(4-benzoylpiperazin-1-ium-1-yl)cyclohexane-1-carbonitrile Traditional Name: 1-(4-benzoylpiperazin-1-ium-1-yl)cyclohexanecarbonitrile Formula: C18H24N3O+ MolecularWeight: 298.40266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O/c19-15-18(9-5-2-6-10-18)21-13-11-20(12-14-21)17(22)16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-14H2/p+1