N2-cyclohexyl-N6-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]-N4-(3-fluoranyl-4-methoxy-phenyl)-N2-methyl-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-cyclohexyl-N6-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]-N4-(3-fluoranyl-4-methoxy-phenyl)-N2-methyl-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cyclohexyl-N6-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methyl]-N4-(3-fluoro-4-methoxy-phenyl)-N2-methyl-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cyclohexyl-N6-[(1-ethyl-1-methyl-2-pyrrolidin-1-iumyl)methyl]-N4-(3-fluoro-4-methoxyphenyl)-N2-methyl-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cyclohexyl-6-N-[(1-ethyl-1-methylpyrrolidin-1-ium-2-yl)methyl]-4-N-(3-fluoro-4-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine Traditional Name: cyclohexyl-[4-[(1-ethyl-1-methyl-pyrrolidin-1-ium-2-yl)methylamino]-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]-methyl-amine Formula: C25H39FN7O+ MolecularWeight: 472.621863

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1CNC2=NC(=NC(=N2)NC3=CC(=C(C=C3)OC)F)N(C)C4CCCCC4)C

Isomeric SMILES

CC[N+]1(CCCC1CNC2=NC(=NC(=N2)NC3=CC(=C(C=C3)OC)F)N(C)C4CCCCC4)C

InChI

InChI=1S/C25H39FN7O/c1-5-33(3)15-9-12-20(33)17-27-23-29-24(28-18-13-14-22(34-4)21(26)16-18)31-25(30-23)32(2)19-10-7-6-8-11-19/h13-14,16,19-20H,5-12,15,17H2,1-4H3,(H2,27,28,29,30,31)/q+1