6-(4-ethylpiperazin-4-ium-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-[(3R)-3-methyl-1-piperidyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-ethyl-1-piperazin-4-iumyl)-2-[(3R)-3-methyl-1-piperidinyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-ethylpiperazin-4-ium-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-ethylpiperazin-4-ium-1-yl)-2-[(3R)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H28N7O2+ MolecularWeight: 350.43922

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N3CCCC(C3)C)N)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C(=NC(=N2)N3CCC[C@H](C3)C)N)[N+](=O)[O-]

InChI

InChI=1S/C16H27N7O2/c1-3-20-7-9-21(10-8-20)15-13(23(24)25)14(17)18-16(19-15)22-6-4-5-12(2)11-22/h12H,3-11H2,1-2H3,(H2,17,18,19)/p+1/t12-/m1/s1