5-ethyl-6-methyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-6-methyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 5-ethyl-6-methyl-2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)C2=CC=C(C=C2)C[NH+]3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C23H25N3O/c1-3-21-16(2)24-22(25-23(21)27)19-10-8-17(9-11-19)14-26-13-12-18-6-4-5-7-20(18)15-26/h4-11H,3,12-15H2,1-2H3,(H,24,25,27)/p+1