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

Systemtic Name: 5-phenyl-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine Openeye Name: 5-phenyl-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine CAS Name: 5-phenyl-N-[[1-(1-piperidin-1-iumyl)cyclopentyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-phenyl-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine Traditional Name: (5-phenyl-1,2,4-triazin-3-yl)-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]amine Formula: C20H28N5+ MolecularWeight: 338.46982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCCC2)CNC3=NC(=CN=N3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)C2(CCCC2)CNC3=NC(=CN=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N5/c1-3-9-17(10-4-1)18-15-22-24-19(23-18)21-16-20(11-5-6-12-20)25-13-7-2-8-14-25/h1,3-4,9-10,15H,2,5-8,11-14,16H2,(H,21,23,24)/p+1