4-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzamide

Systemtic Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]methyl]benzamide IUPAC Name: 4-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]methyl]benzamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H22N4O2S/c22-20(26)16-7-5-15(6-8-16)14-28-21-17-3-1-2-4-18(17)23-19(24-21)13-25-9-11-27-12-10-25/h1-8H,9-14H2,(H2,22,26)/p+1