5-(2,6-dimethoxyphenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(2,6-dimethoxyphenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(2,6-dimethoxyphenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine CAS Name: 5-(2,6-dimethoxyphenyl)-N-[[1-(1-piperidin-1-iumyl)cyclopentyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(2,6-dimethoxyphenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]amine Formula: C22H32N5O2+ MolecularWeight: 398.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=CN=NC(=N2)NCC3(CCCC3)[NH+]4CCCCC4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=CN=NC(=N2)NCC3(CCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C22H31N5O2/c1-28-18-9-8-10-19(29-2)20(18)17-15-24-26-21(25-17)23-16-22(11-4-5-12-22)27-13-6-3-7-14-27/h8-10,15H,3-7,11-14,16H2,1-2H3,(H,23,25,26)/p+1