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

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4,6-dimethyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4,6-dimethylpyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazino]-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C20H25N4+ MolecularWeight: 321.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=CC(=[NH+]3)C)C)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=CC(=[NH+]3)C)C)C#N)C

InChI

InChI=1S/C20H24N4/c1-14-6-5-7-19(17(14)4)23-8-10-24(11-9-23)20-18(13-21)15(2)12-16(3)22-20/h5-7,12H,8-11H2,1-4H3/p+1