3-[[4-azanyl-6-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-azanyl-6-[(3R)-3-methylpiperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[4-amino-6-[(3R)-3-methyl-1-piperidyl]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-amino-6-[(3R)-3-methyl-1-piperidinyl]-5-nitro-2-pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-amino-6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-2-yl]amino]propyl-diethylazanium Traditional Name: 3-[[4-amino-6-[(3R)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-ammonium Formula: C17H32N7O2+ MolecularWeight: 366.48168

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCCC(C2)C

Isomeric SMILES

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CCC[C@H](C2)C

InChI

InChI=1S/C17H31N7O2/c1-4-22(5-2)10-7-9-19-17-20-15(18)14(24(25)26)16(21-17)23-11-6-8-13(3)12-23/h13H,4-12H2,1-3H3,(H3,18,19,20,21)/p+1/t13-/m1/s1