4,6-dimethyl-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 4,6-dimethyl-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 4,6-dimethyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]-4,6-dimethyl-nicotinonitrile Formula: C20H27N6+ MolecularWeight: 351.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)N2CCN(CC2)C3=[NH+]C(=NC(=C3)C)C(C)C)C

InChI

InChI=1S/C20H26N6/c1-13(2)19-22-16(5)11-18(24-19)25-6-8-26(9-7-25)20-17(12-21)14(3)10-15(4)23-20/h10-11,13H,6-9H2,1-5H3/p+1