2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H30ClN4O2S+ MolecularWeight: 486.0493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29ClN4O2S/c1-17(2)30-24(32)21-9-8-19(26)14-22(21)28-25(30)33-16-23(31)27-20-10-12-29(13-11-20)15-18-6-4-3-5-7-18/h3-9,14,17,20H,10-13,15-16H2,1-2H3,(H,27,31)/p+1