3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-diazinane-2,4-dione

Systemtic Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-diazinane-2,4-dione Openeye Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]hexahydropyrimidine-2,4-dione CAS Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-diazinane-2,4-dione IUPAC Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-1,3-diazinane-2,4-dione Traditional Name: 3-[(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-5,6-dihydrouracil Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=O)CCNC3=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C[NH+](CCC2=C1)CN3C(=O)CCNC3=O)OCC

InChI

InChI=1S/C18H25N3O4/c1-3-24-15-9-13-6-8-20(11-14(13)10-16(15)25-4-2)12-21-17(22)5-7-19-18(21)23/h9-10H,3-8,11-12H2,1-2H3,(H,19,23)/p+1