5-(1,3-benzodioxol-5-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-pyridin-2-yl-ethyl]-1,2,4-triazin-3-amine

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-pyridin-2-yl-ethyl]-1,2,4-triazin-3-amine Openeye Name: 5-(1,3-benzodioxol-5-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]-1,2,4-triazin-3-amine CAS Name: 5-(1,3-benzodioxol-5-yl)-N-[(2R)-2-(4-morpholin-4-iumyl)-2-(2-pyridinyl)ethyl]-1,2,4-triazin-3-amine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-pyridin-2-ylethyl]-1,2,4-triazin-3-amine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1,2,4-triazin-3-yl]-[(2R)-2-morpholin-4-ium-4-yl-2-(2-pyridyl)ethyl]amine Formula: C21H23N6O3+ MolecularWeight: 407.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC2=NC(=CN=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC2=NC(=CN=N2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5

InChI

InChI=1S/C21H22N6O3/c1-2-6-22-16(3-1)18(27-7-9-28-10-8-27)13-23-21-25-17(12-24-26-21)15-4-5-19-20(11-15)30-14-29-19/h1-6,11-12,18H,7-10,13-14H2,(H,23,25,26)/p+1/t18-/m1/s1