N-(furan-2-ylmethyl)-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-furylmethyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-furanylmethyl)-2-[[4-oxo-3-[3-(1-piperidin-1-iumyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-furfuryl)-2-[[4-keto-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H28N4O3S/c28-21(24-16-18-8-6-15-30-18)17-31-23-25-20-10-3-2-9-19(20)22(29)27(23)14-7-13-26-11-4-1-5-12-26/h2-3,6,8-10,15H,1,4-5,7,11-14,16-17H2,(H,24,28)/p+1