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

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O2S/c30-23(26-19-12-14-28(15-13-19)16-18-6-2-1-3-7-18)17-32-25-27-22-9-5-4-8-21(22)24(31)29(25)20-10-11-20/h1-9,19-20H,10-17H2,(H,26,30)/p+1