N-(3-chloranyl-4-methyl-phenyl)-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[4-oxo-3-[3-(1-piperidin-1-iumyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-keto-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C25H30ClN4O2S+ MolecularWeight: 486.0493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCCCC4)Cl

InChI

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