4-[[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-4-oxo-quinazolin-3-yl]methyl]benzonitrile CAS Name: 4-[[2-(4-morpholin-4-iumylmethyl)-4-oxo-3-quinazolinyl]methyl]benzonitrile IUPAC Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)-4-oxoquinazolin-3-yl]methyl]benzonitrile Traditional Name: 4-[[4-keto-2-(morpholin-4-ium-4-ylmethyl)quinazolin-3-yl]methyl]benzonitrile Formula: C21H21N4O2+ MolecularWeight: 361.41704

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N4O2/c22-13-16-5-7-17(8-6-16)14-25-20(15-24-9-11-27-12-10-24)23-19-4-2-1-3-18(19)21(25)26/h1-8H,9-12,14-15H2/p+1