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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,4-triazin-3-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,4-triazin-3-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2,4-triazin-3-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC(=CN=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC(=CN=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H21N5O3/c1(5-22-6-8-23-9-7-22)4-18-17-20-14(11-19-21-17)13-2-3-15-16(10-13)25-12-24-15/h2-3,10-11H,1,4-9,12H2,(H,18,20,21)/p+1