5-(3-fluoranyl-4-methoxy-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(3-fluoranyl-4-methoxy-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,4-triazin-3-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazin-3-amine CAS Name: 5-(3-fluoro-4-methoxyphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1,2,4-triazin-3-amine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazin-3-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[5-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazin-3-yl]amine Formula: C22H25FN5O+ MolecularWeight: 394.465203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=NC(=N2)NC3CC[NH+](CC3)CC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=NC(=N2)NC3CC[NH+](CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C22H24FN5O/c1-29-21-8-7-17(13-19(21)23)20-14-24-27-22(26-20)25-18-9-11-28(12-10-18)15-16-5-3-2-4-6-16/h2-8,13-14,18H,9-12,15H2,1H3,(H,25,26,27)/p+1