2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O/c1-15(2)20-21-16(3)13-18(23-20)25-11-9-24(10-12-25)14-19(26)22-17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3,(H,22,26)/p+1