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

Systemtic Name: 2-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-4,6-dimethyl-nicotinonitrile Formula: C20H24ClN4O+ MolecularWeight: 371.88376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=NC(=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+1