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

Systemtic Name: 5-(4-chlorophenyl)-N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(4-chlorophenyl)-N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine CAS Name: 5-(4-chlorophenyl)-N-[[(2S)-1-methyl-2-piperidin-1-iumyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(4-chlorophenyl)-N-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-[[(2S)-1-methylpiperidin-1-ium-2-yl]methyl]amine Formula: C16H21ClN5+ MolecularWeight: 318.82444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5/c1-22-9-3-2-4-14(22)10-18-16-20-15(11-19-21-16)12-5-7-13(17)8-6-12/h5-8,11,14H,2-4,9-10H2,1H3,(H,18,20,21)/p+1/t14-/m0/s1