N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-4-oxo-1H-quinazoline-7-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-iumylmethyl)-4-oxo-1H-quinazoline-7-carboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(morpholin-4-ium-4-ylmethyl)-4-oxo-1H-quinazoline-7-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-keto-2-(morpholin-4-ium-4-ylmethyl)-1H-quinazoline-7-carboxamide Formula: C23H24N5O3S+ MolecularWeight: 450.53336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N=C(N4)C[NH+]5CCOCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)N=C(N4)C[NH+]5CCOCC5

InChI

InChI=1S/C23H23N5O3S/c1-2-14-3-6-17-19(11-14)32-23(25-17)27-21(29)15-4-5-16-18(12-15)24-20(26-22(16)30)13-28-7-9-31-10-8-28/h3-6,11-12H,2,7-10,13H2,1H3,(H,24,26,30)(H,25,27,29)/p+1