7-chloranyl-2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(dimethylamino)-1-pyridin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C16H16ClN4O+ MolecularWeight: 315.77744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H15ClN4O/c1-20(2)12-5-7-21(8-6-12)10-15-18-14-9-11(17)3-4-13(14)16(22)19-15/h3-9H,10H2,1-2H3/p+1