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

Systemtic Name: 5-(2-methylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(o-tolyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine CAS Name: 5-(2-methylphenyl)-N-[[1-(1-piperidin-1-iumyl)cyclopentyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(2-methylphenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(o-tolyl)-1,2,4-triazin-3-yl]-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]amine Formula: C21H30N5+ MolecularWeight: 352.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CN=NC(=N2)NCC3(CCCC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=CN=NC(=N2)NCC3(CCCC3)[NH+]4CCCCC4

InChI

InChI=1S/C21H29N5/c1-17-9-3-4-10-18(17)19-15-23-25-20(24-19)22-16-21(11-5-6-12-21)26-13-7-2-8-14-26/h3-4,9-10,15H,2,5-8,11-14,16H2,1H3,(H,22,24,25)/p+1