3-(1-imidazol-1-ylpropyl)-3-(phenylmethyl)-1H-quinazolin-3-ium-2,4-dione

Systemtic Name: 3-(1-imidazol-1-ylpropyl)-3-(phenylmethyl)-1H-quinazolin-3-ium-2,4-dione Openeye Name: 3-benzyl-3-(1-imidazol-1-ylpropyl)-1H-quinazolin-3-ium-2,4-dione CAS Name: 3-[1-(1-imidazolyl)propyl]-3-(phenylmethyl)-1H-quinazolin-3-ium-2,4-dione IUPAC Name: 3-benzyl-3-(1-imidazol-1-ylpropyl)-1H-quinazolin-3-ium-2,4-dione Traditional Name: 3-benzyl-3-(1-imidazol-1-ylpropyl)-1H-quinazolin-3-ium-2,4-quinone Formula: C21H21N4O2+ MolecularWeight: 361.41704

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Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C=CN=C1)[N+]2(C(=O)C3=CC=CC=C3NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CCC(N1C=CN=C1)[N+]2(C(=O)C3=CC=CC=C3NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-2-19(24-13-12-22-15-24)25(14-16-8-4-3-5-9-16)20(26)17-10-6-7-11-18(17)23-21(25)27/h3-13,15,19H,2,14H2,1H3/p+1