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(2S)-2-(4-cyclohexylcarbonylpiperazin-1-ium-1-yl)-2-phenyl-ethanenitrile

(2S)-2-(4-cyclohexylcarbonylpiperazin-1-ium-1-yl)-2-phenyl-ethanenitrile

Systemtic Name:(2S)-2-(4-cyclohexylcarbonylpiperazin-1-ium-1-yl)-2-phenyl-ethanenitrile
Openeye Name:(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]-2-phenyl-acetonitrile
CAS Name:(2S)-2-[4-[cyclohexyl(oxo)methyl]-1-piperazin-1-iumyl]-2-phenylacetonitrile
IUPAC Name:(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]-2-phenylacetonitrile
Traditional Name:(2S)-2-[4-(cyclohexanecarbonyl)piperazin-1-ium-1-yl]-2-phenyl-acetonitrile
Formula: C19H26N3O+
MolecularWeight: 312.42924
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CC[NH+](CC2)C(C#N)C3=CC=CC=C3


Isomeric SMILES

C1CCC(CC1)C(=O)N2CC[NH+](CC2)[C@H](C#N)C3=CC=CC=C3


InChI

InChI=1S/C19H25N3O/c20-15-18(16-7-3-1-4-8-16)21-11-13-22(14-12-21)19(23)17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-14H2/p+1/t18-/m1/s1


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