1,3-benzodioxol-5-ylmethyl-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-methylazanium Traditional Name: (4,6-diamino-s-triazin-2-yl)methyl-methyl-piperonyl-ammonium Formula: C13H17N6O2+ MolecularWeight: 289.31308

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC(=NC(=N3)N)N

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C13H16N6O2/c1-19(6-11-16-12(14)18-13(15)17-11)5-8-2-3-9-10(4-8)21-7-20-9/h2-4H,5-7H2,1H3,(H4,14,15,16,17,18)/p+1