3-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-5-(3-fluoranyl-4-methoxy-phenyl)-1,2,4-triazine

Systemtic Name: 3-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-5-(3-fluoranyl-4-methoxy-phenyl)-1,2,4-triazine Openeye Name: 3-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-5-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazine CAS Name: 3-[(3S)-3,4-dimethyl-1-piperazin-4-iumyl]-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine IUPAC Name: 3-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-5-(3-fluoro-4-methoxyphenyl)-1,2,4-triazine Traditional Name: 3-[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-5-(3-fluoro-4-methoxy-phenyl)-1,2,4-triazine Formula: C16H21FN5O+ MolecularWeight: 318.369243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)C2=NC(=CN=N2)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

C[C@H]1CN(CC[NH+]1C)C2=NC(=CN=N2)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C16H20FN5O/c1-11-10-22(7-6-21(11)2)16-19-14(9-18-20-16)12-4-5-15(23-3)13(17)8-12/h4-5,8-9,11H,6-7,10H2,1-3H3/p+1/t11-/m0/s1