2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidin-4-amine

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidin-4-amine CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitro-6-[4-(phenylmethyl)-1-piperazin-4-iumyl]-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazin-4-ium-1-yl)-2-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-4-yl]amine Formula: C22H32N7O2+ MolecularWeight: 426.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H31N7O2/c1-16-12-17(2)14-28(13-16)22-24-20(23)19(29(30)31)21(25-22)27-10-8-26(9-11-27)15-18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H2,23,24,25)/p+1/t16-,17-/m1/s1