4-methyl-2-(4-nitropyrazol-1-yl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 4-methyl-2-(4-nitropyrazol-1-yl)-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine CAS Name: 4-methyl-2-(4-nitro-1-pyrazolyl)-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-2-(4-nitropyrazol-1-yl)pyrimidine Formula: C19H22N7O2+ MolecularWeight: 380.42368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=C(C=N2)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N7O2/c1-15-11-18(22-19(21-15)25-14-17(12-20-25)26(27)28)24-9-7-23(8-10-24)13-16-5-3-2-4-6-16/h2-6,11-12,14H,7-10,13H2,1H3/p+1