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

Systemtic Name: N-cyclopentyl-2-[4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclopentyl-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclopentyl-2-[[4-oxo-3-[3-(1-piperidin-1-iumyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclopentyl-2-[4-oxo-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclopentyl-2-[[4-keto-3-(3-piperidin-1-ium-1-ylpropyl)quinazolin-2-yl]thio]acetamide Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCC4

Isomeric SMILES

C1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCC4

InChI

InChI=1S/C23H32N4O2S/c28-21(24-18-9-2-3-10-18)17-30-23-25-20-12-5-4-11-19(20)22(29)27(23)16-8-15-26-13-6-1-7-14-26/h4-5,11-12,18H,1-3,6-10,13-17H2,(H,24,28)/p+1