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

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-5-(4-methoxyphenyl)-1,2,4-triazin-3-amine Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-[5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]amine Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O/c1-3-22-10-4-5-14(22)11-18-17-20-16(12-19-21-17)13-6-8-15(23-2)9-7-13/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,18,20,21)/p+1/t14-/m0/s1