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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-1,3-dimethyl-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-1,3-dimethyl-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-6-ethyl-1,3-dimethylpyrido[2,3-d]pyrimidin-8-ium-2,4-dione Traditional Name: 6-ethyl-1,3-dimethyl-5-(piperonylamino)pyrido[2,3-d]pyrimidin-8-ium-2,4-quinone Formula: C19H21N4O4+ MolecularWeight: 369.39444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[NH+]=C2C(=C1NCC3=CC4=C(C=C3)OCO4)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC1=C[NH+]=C2C(=C1NCC3=CC4=C(C=C3)OCO4)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H20N4O4/c1-4-12-9-21-17-15(18(24)23(3)19(25)22(17)2)16(12)20-8-11-5-6-13-14(7-11)27-10-26-13/h5-7,9H,4,8,10H2,1-3H3,(H,20,21)/p+1