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

Systemtic Name: N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine Openeye Name: N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-5-(1-naphthyl)-1,2,4-triazin-3-amine CAS Name: N-[[(2S)-1-methyl-2-piperidin-1-iumyl]methyl]-5-(1-naphthalenyl)-1,2,4-triazin-3-amine IUPAC Name: N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-5-naphthalen-1-yl-1,2,4-triazin-3-amine Traditional Name: [(2S)-1-methylpiperidin-1-ium-2-yl]methyl-[5-(1-naphthyl)-1,2,4-triazin-3-yl]amine Formula: C20H24N5+ MolecularWeight: 334.43806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CNC2=NC(=CN=N2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCCC[C@H]1CNC2=NC(=CN=N2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H23N5/c1-25-12-5-4-9-16(25)13-21-20-23-19(14-22-24-20)18-11-6-8-15-7-2-3-10-17(15)18/h2-3,6-8,10-11,14,16H,4-5,9,12-13H2,1H3,(H,21,23,24)/p+1/t16-/m0/s1