3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazine-1-carbonyl]benzonitrile Formula: C20H24N5O+ MolecularWeight: 350.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H23N5O/c1-14(2)19-22-15(3)11-18(23-19)24-7-9-25(10-8-24)20(26)17-6-4-5-16(12-17)13-21/h4-6,11-12,14H,7-10H2,1-3H3/p+1