5-(2,6-dimethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(2,6-dimethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(2,6-dimethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine CAS Name: 5-(2,6-dimethoxyphenyl)-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(2,6-dimethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C18H26N5O2+ MolecularWeight: 344.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=NC(=CN=N2)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=NC(=CN=N2)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C18H25N5O2/c1-4-23-10-6-7-13(23)11-19-18-21-14(12-20-22-18)17-15(24-2)8-5-9-16(17)25-3/h5,8-9,12-13H,4,6-7,10-11H2,1-3H3,(H,19,21,22)/p+1/t13-/m0/s1