(E)-2-[[4-[(3-bromophenyl)amino]morpholin-4-ium-4-yl]methyl]-3-quinazolin-6-yl-prop-2-enamide

Systemtic Name: (E)-2-[[4-[(3-bromophenyl)amino]morpholin-4-ium-4-yl]methyl]-3-quinazolin-6-yl-prop-2-enamide Openeye Name: (E)-2-[[4-(3-bromoanilino)morpholin-4-ium-4-yl]methyl]-3-quinazolin-6-yl-prop-2-enamide CAS Name: (E)-2-[[4-(3-bromoanilino)-4-morpholin-4-iumyl]methyl]-3-(6-quinazolinyl)-2-propenamide IUPAC Name: (E)-2-[[4-(3-bromoanilino)morpholin-4-ium-4-yl]methyl]-3-quinazolin-6-ylprop-2-enamide Traditional Name: (E)-2-[[4-(3-bromoanilino)morpholin-4-ium-4-yl]methyl]-3-quinazolin-6-yl-acrylamide Formula: C22H23BrN5O2+ MolecularWeight: 469.35432

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CC(=CC2=CC3=CN=CN=C3C=C2)C(=O)N)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1COCC[N+]1(C/C(=C\C2=CC3=CN=CN=C3C=C2)/C(=O)N)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN5O2/c23-19-2-1-3-20(12-19)27-28(6-8-30-9-7-28)14-18(22(24)29)11-16-4-5-21-17(10-16)13-25-15-26-21/h1-5,10-13,15,27H,6-9,14H2,(H-,24,29)/p+1/b18-11+