5-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,4-triazin-3-amine

Systemtic Name: 5-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,4-triazin-3-amine Openeye Name: 5-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,4-triazin-3-amine CAS Name: 5-(3-methoxyphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(3-methoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,4-triazin-3-amine Traditional Name: [5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C17H24N5O2+ MolecularWeight: 330.40476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN=NC(=N2)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN=NC(=N2)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C17H23N5O2/c1-23-15-5-2-4-14(12-15)16-13-19-21-17(20-16)18-6-3-7-22-8-10-24-11-9-22/h2,4-5,12-13H,3,6-11H2,1H3,(H,18,20,21)/p+1