3-butyl-3,6-diphenyl-pyrimidin-3-ium-4-one

Systemtic Name: 3-butyl-3,6-diphenyl-pyrimidin-3-ium-4-one Openeye Name: 3-butyl-3,6-diphenyl-pyrimidin-3-ium-4-one CAS Name: 3-butyl-3,6-diphenyl-4-pyrimidin-3-iumone IUPAC Name: 3-butyl-3,6-diphenylpyrimidin-3-ium-4-one Traditional Name: 3-butyl-3,6-diphenyl-pyrimidin-3-ium-4-one Formula: C20H21N2O+ MolecularWeight: 305.39354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=NC(=CC1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCC[N+]1(C=NC(=CC1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N2O/c1-2-3-14-22(18-12-8-5-9-13-18)16-21-19(15-20(22)23)17-10-6-4-7-11-17/h4-13,15-16H,2-3,14H2,1H3/q+1