6,7-dimethoxy-2-[(4-pentan-3-ylpyridin-1-ium-1-yl)methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-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]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[(4-pentan-3-yl-1-pyridin-1-iumyl)methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-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]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H26N3O3+ MolecularWeight: 368.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c1-5-14(6-2)15-7-9-24(10-8-15)13-20-22-17-12-19(27-4)18(26-3)11-16(17)21(25)23-20/h7-12,14H,5-6,13H2,1-4H3/p+1