4-methyl-6-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-2-propan-2-yl-pyrimidine

Systemtic Name: 4-methyl-6-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-2-propan-2-yl-pyrimidine Openeye Name: 2-isopropyl-4-methyl-6-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]pyrimidine CAS Name: 4-methyl-6-[4-(3-nitro-2-pyridin-1-iumyl)-1-piperazinyl]-2-propan-2-ylpyrimidine IUPAC Name: 4-methyl-6-[4-(3-nitropyridin-1-ium-2-yl)piperazin-1-yl]-2-propan-2-ylpyrimidine Traditional Name: 2-isopropyl-4-methyl-6-[4-(3-nitropyridin-1-ium-2-yl)piperazino]pyrimidine Formula: C17H23N6O2+ MolecularWeight: 343.40352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

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