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

Systemtic Name: 3-[[4-azanyl-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[4-amino-6-[(3R,5R)-3,5-dimethyl-1-piperidyl]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-amino-6-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-5-nitro-2-pyrimidinyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-amino-6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-5-nitropyrimidin-2-yl]amino]propyl-diethylazanium Traditional Name: 3-[[4-amino-6-[(3R,5R)-3,5-dimethylpiperidino]-5-nitro-pyrimidin-2-yl]amino]propyl-diethyl-ammonium Formula: C18H34N7O2+ MolecularWeight: 380.50826

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2CC(CC(C2)C)C

Isomeric SMILES

CC[NH+](CC)CCCNC1=NC(=C(C(=N1)N)[N+](=O)[O-])N2C[C@@H](C[C@H](C2)C)C

InChI

InChI=1S/C18H33N7O2/c1-5-23(6-2)9-7-8-20-18-21-16(19)15(25(26)27)17(22-18)24-11-13(3)10-14(4)12-24/h13-14H,5-12H2,1-4H3,(H3,19,20,21,22)/p+1/t13-,14-/m1/s1