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

Systemtic Name: 4-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]methyl]benzonitrile Formula: C20H26N5+ MolecularWeight: 336.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H25N5/c1-15(2)20-22-16(3)12-19(23-20)25-10-8-24(9-11-25)14-18-6-4-17(13-21)5-7-18/h4-7,12,15H,8-11,14H2,1-3H3/p+1