3-[5,6-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[5,6-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-azanium Openeye Name: 3-[5,6-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium CAS Name: 3-[5,6-dimethyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-7-pyrrolo[2,3-d]pyrimidinyl]propyl-dimethylammonium IUPAC Name: 3-[5,6-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethylazanium Traditional Name: 3-[5,6-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]propyl-dimethyl-ammonium Formula: C19H34N6O+2 MolecularWeight: 362.51286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=NC=N2)NCC[NH+]3CCOCC3)CCC[NH+](C)C)C

Isomeric SMILES

CC1=C(N(C2=C1C(=NC=N2)NCC[NH+]3CCOCC3)CCC[NH+](C)C)C

InChI

InChI=1S/C19H32N6O/c1-15-16(2)25(8-5-7-23(3)4)19-17(15)18(21-14-22-19)20-6-9-24-10-12-26-13-11-24/h14H,5-13H2,1-4H3,(H,20,21,22)/p+2