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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-keto-3-[3-(4-methylpiperidin-1-ium-1-yl)propyl]quinazolin-2-yl]thio]acetamide Formula: C26H32ClN4O2S+ MolecularWeight: 500.07588

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4O2S/c1-18-10-14-30(15-11-18)12-5-13-31-25(33)21-6-3-4-7-23(21)29-26(31)34-17-24(32)28-20-9-8-19(2)22(27)16-20/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H,28,32)/p+1