2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C20H25ClN4O+2 MolecularWeight: 372.8917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H23ClN4O/c1-15-13-16(2)23-20(19(15)14-22)25-9-7-24(8-10-25)11-12-26-18-5-3-17(21)4-6-18/h3-6,13H,7-12H2,1-2H3/p+2