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

Systemtic Name: N2-cycloheptyl-N6-[(1-ethyl-1-oxidanidyl-pyrrolidin-1-ium-2-yl)methyl]-N4-(3-fluoranyl-4-methoxy-phenyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N6-[(1-ethyl-1-oxido-pyrrolidin-1-ium-2-yl)methyl]-N4-(3-fluoro-4-methoxy-phenyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N6-[(1-ethyl-1-oxido-2-pyrrolidin-1-iumyl)methyl]-N4-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-6-N-[(1-ethyl-1-oxidopyrrolidin-1-ium-2-yl)methyl]-4-N-(3-fluoro-4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-[(1-ethyl-1-oxido-pyrrolidin-1-ium-2-yl)methylamino]-6-(3-fluoro-4-methoxy-anilino)-s-triazin-2-yl]amine Formula: C24H36FN7O2 MolecularWeight: 473.586743

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)F)[O-]

Isomeric SMILES

CC[N+]1(CCCC1CNC2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OC)F)[O-]

InChI

InChI=1S/C24H36FN7O2/c1-3-32(33)14-8-11-19(32)16-26-22-29-23(27-17-9-6-4-5-7-10-17)31-24(30-22)28-18-12-13-21(34-2)20(25)15-18/h12-13,15,17,19H,3-11,14,16H2,1-2H3,(H3,26,27,28,29,30,31)