1-[5-chloranyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-6-propan-2-yloxy-pyrimidin-4-yl]-N,N-dimethyl-pyridin-1-ium-4-amine

Systemtic Name: 1-[5-chloranyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-6-propan-2-yloxy-pyrimidin-4-yl]-N,N-dimethyl-pyridin-1-ium-4-amine Openeye Name: 1-[5-chloro-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-6-isopropoxy-pyrimidin-4-yl]-N,N-dimethyl-pyridin-1-ium-4-amine CAS Name: 1-[5-chloro-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-6-propan-2-yloxy-4-pyrimidinyl]-N,N-dimethyl-4-pyridin-1-iumamine IUPAC Name: 1-[5-chloro-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-6-propan-2-yloxypyrimidin-4-yl]-N,N-dimethylpyridin-1-ium-4-amine Traditional Name: [1-[5-chloro-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-6-isopropoxy-pyrimidin-4-yl]pyridin-1-ium-4-yl]-dimethyl-amine Formula: C21H27ClN6O+2 MolecularWeight: 414.93168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N(C)C)[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(C)OC1=NC(=NC(=C1Cl)[N+]2=CC=C(C=C2)N(C)C)[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H27ClN6O/c1-15(2)29-20-18(22)19(27-11-7-16(8-12-27)25(3)4)23-21(24-20)28-13-9-17(10-14-28)26(5)6/h7-15H,1-6H3/q+2