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

Systemtic Name: N-methyl-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: N-methyl-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-N-(4-nitrophenyl)acetamide IUPAC Name: N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C21H29N6O3+ MolecularWeight: 413.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O3/c1-15(2)21-22-16(3)13-19(23-21)26-11-9-25(10-12-26)14-20(28)24(4)17-5-7-18(8-6-17)27(29)30/h5-8,13,15H,9-12,14H2,1-4H3/p+1