4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-N-(pyridin-1-ium-2-ylmethyl)butanamide

Systemtic Name: 4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]-N-(pyridin-1-ium-2-ylmethyl)butanamide Openeye Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-1-ium-2-ylmethyl)butanamide CAS Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-pyridin-1-iumylmethyl)butanamide IUPAC Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)-N-(pyridin-1-ium-2-ylmethyl)butanamide Traditional Name: 4-(2,4-diketo-1H-quinazolin-3-yl)-N-(pyridin-1-ium-2-ylmethyl)butyramide Formula: C18H19N4O3+ MolecularWeight: 339.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)NCC3=CC=CC=[NH+]3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCCC(=O)NCC3=CC=CC=[NH+]3

InChI

InChI=1S/C18H18N4O3/c23-16(20-12-13-6-3-4-10-19-13)9-5-11-22-17(24)14-7-1-2-8-15(14)21-18(22)25/h1-4,6-8,10H,5,9,11-12H2,(H,20,23)(H,21,25)/p+1