4-[2-(dimethylamino)-6-(2-methylphenyl)pyridin-1-ium-3-yl]carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[2-(dimethylamino)-6-(2-methylphenyl)pyridin-1-ium-3-yl]carbonylpiperazine-1-carbaldehyde Openeye Name: 4-[2-(dimethylamino)-6-(o-tolyl)pyridin-1-ium-3-carbonyl]piperazine-1-carbaldehyde CAS Name: 4-[[2-(dimethylamino)-6-(2-methylphenyl)-3-pyridin-1-iumyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[2-(dimethylamino)-6-(2-methylphenyl)pyridin-1-ium-3-carbonyl]piperazine-1-carbaldehyde Traditional Name: 4-[2-(dimethylamino)-6-(o-tolyl)pyridin-1-ium-3-carbonyl]piperazine-1-carbaldehyde Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=[NH+]C(=C(C=C2)C(=O)N3CCN(CC3)C=O)N(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=[NH+]C(=C(C=C2)C(=O)N3CCN(CC3)C=O)N(C)C

InChI

InChI=1S/C20H24N4O2/c1-15-6-4-5-7-16(15)18-9-8-17(19(21-18)22(2)3)20(26)24-12-10-23(14-25)11-13-24/h4-9,14H,10-13H2,1-3H3/p+1