5-(1,3-benzodioxol-5-ylmethylamino)-1,3,6-trimethyl-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-1,3,6-trimethyl-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-1,3,6-trimethyl-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione Traditional Name: 1,3,6-trimethyl-5-(piperonylamino)pyrido[2,3-d]pyrimidin-8-ium-2,4-quinone Formula: C18H19N4O4+ MolecularWeight: 355.36786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C2C(=C1NCC3=CC4=C(C=C3)OCO4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC1=C[NH+]=C2C(=C1NCC3=CC4=C(C=C3)OCO4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H18N4O4/c1-10-7-20-16-14(17(23)22(3)18(24)21(16)2)15(10)19-8-11-4-5-12-13(6-11)26-9-25-12/h4-7H,8-9H2,1-3H3,(H,19,20)/p+1