7-chloranyl-3-[[(2R)-oxolan-2-yl]methyl]-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[[(2R)-oxolan-2-yl]methyl]-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 7-chloro-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one CAS Name: 7-chloro-3-[[(2R)-2-oxolanyl]methyl]-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-[[(2R)-oxolan-2-yl]methyl]-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 7-chloro-2-(2-piperidin-1-ium-1-ylethylthio)-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C[C@H]4CCCO4

InChI

InChI=1S/C20H26ClN3O2S/c21-15-6-7-17-18(13-15)22-20(27-12-10-23-8-2-1-3-9-23)24(19(17)25)14-16-5-4-11-26-16/h6-7,13,16H,1-5,8-12,14H2/p+1/t16-/m1/s1