2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile

Systemtic Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile Openeye Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: 2-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: 2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]-2-methyl-propionitrile Formula: C14H18Cl2N3+ MolecularWeight: 299.21882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)[NH+]1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)(C#N)[NH+]1CCN(CC1)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H17Cl2N3/c1-14(2,10-17)19-7-5-18(6-8-19)11-3-4-12(15)13(16)9-11/h3-4,9H,5-8H2,1-2H3/p+1