2-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(5-chloro-2-methoxy-benzyl)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)CC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C20H23ClN4O/c1-14-10-15(2)23-20(18(14)12-22)25-8-6-24(7-9-25)13-16-11-17(21)4-5-19(16)26-3/h4-5,10-11H,6-9,13H2,1-3H3/p+2