4-methyl-6-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]-2-propan-2-yl-pyrimidine

Systemtic Name: 4-methyl-6-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]-2-propan-2-yl-pyrimidine Openeye Name: 2-isopropyl-4-methyl-6-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine CAS Name: 4-methyl-6-[4-(5-nitro-2-pyridin-1-iumyl)-1-piperazinyl]-2-propan-2-ylpyrimidine IUPAC Name: 4-methyl-6-[4-(5-nitropyridin-1-ium-2-yl)piperazin-1-yl]-2-propan-2-ylpyrimidine Traditional Name: 2-isopropyl-4-methyl-6-[4-(5-nitropyridin-1-ium-2-yl)piperazino]pyrimidine Formula: C17H23N6O2+ MolecularWeight: 343.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-12(2)17-19-13(3)10-16(20-17)22-8-6-21(7-9-22)15-5-4-14(11-18-15)23(24)25/h4-5,10-12H,6-9H2,1-3H3/p+1