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

Systemtic Name: 5-(4-methoxyphenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine Openeye Name: 5-(4-methoxyphenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine CAS Name: 5-(4-methoxyphenyl)-N-[[1-(1-piperidin-1-iumyl)cyclopentyl]methyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(4-methoxyphenyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine Traditional Name: [5-(4-methoxyphenyl)-1,2,4-triazin-3-yl]-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]amine Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O/c1-27-18-9-7-17(8-10-18)19-15-23-25-20(24-19)22-16-21(11-3-4-12-21)26-13-5-2-6-14-26/h7-10,15H,2-6,11-14,16H2,1H3,(H,22,24,25)/p+1