3-[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]oxy]-1-propyl-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]oxy]-1-propyl-3H-pyridazin-1-ium-6-one Openeye Name: 3-[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]oxy]-1-propyl-3H-pyridazin-1-ium-6-one CAS Name: 3-[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]oxy]-1-propyl-3H-pyridazin-1-ium-6-one IUPAC Name: 3-[[4,6-bis(propylamino)-1,3,5-triazin-2-yl]oxy]-1-propyl-3H-pyridazin-1-ium-6-one Traditional Name: 3-[[4,6-bis(propylamino)-s-triazin-2-yl]oxy]-1-propyl-3H-pyridazin-1-ium-6-one Formula: C16H26N7O2+ MolecularWeight: 348.42334

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC(=N1)OC2C=CC(=O)[N+](=N2)CCC)NCCC

Isomeric SMILES

CCCNC1=NC(=NC(=N1)OC2C=CC(=O)[N+](=N2)CCC)NCCC

InChI

InChI=1S/C16H26N7O2/c1-4-9-17-14-19-15(18-10-5-2)21-16(20-14)25-12-7-8-13(24)23(22-12)11-6-3/h7-8,12H,4-6,9-11H2,1-3H3,(H2,17,18,19,20,21)/q+1