N-(4-methylphenyl)-2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]quinazolin-2-yl]thio]-N-(p-tolyl)acetamide Formula: C26H33N4O2S+ MolecularWeight: 465.63082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C26H32N4O2S/c1-19-8-10-21(11-9-19)27-24(31)18-33-26-28-23-7-4-3-6-22(23)25(32)30(26)15-5-14-29-16-12-20(2)13-17-29/h3-4,6-11,20H,5,12-18H2,1-2H3,(H,27,31)/p+1