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

Systemtic Name: N-butan-2-yl-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-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[3-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-butan-2-yl-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-sec-butyl-acetamide Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCC(CC3)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCC(CC3)C

InChI

InChI=1S/C23H34N4O2S/c1-4-18(3)24-21(28)16-30-23-25-20-9-6-5-8-19(20)22(29)27(23)13-7-12-26-14-10-17(2)11-15-26/h5-6,8-9,17-18H,4,7,10-16H2,1-3H3,(H,24,28)/p+1