2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(1-ethylpropyl)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C19H22N3O+ MolecularWeight: 308.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=CC=[N+](C=C1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCC(CC)C1=CC=[N+](C=C1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H21N3O/c1-3-14(4-2)15-9-11-22(12-10-15)13-18-20-17-8-6-5-7-16(17)19(23)21-18/h5-12,14H,3-4,13H2,1-2H3/p+1