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

Systemtic Name: 3-[[(2S)-oxolan-2-yl]methyl]-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one CAS Name: 3-[[(2S)-2-oxolanyl]methyl]-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-[[(2S)-oxolan-2-yl]methyl]-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 2-(2-piperidin-1-ium-1-ylethylthio)-3-[[(2S)-tetrahydrofuran-2-yl]methyl]quinazolin-4-one Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3C(=O)N2C[C@@H]4CCCO4

InChI

InChI=1S/C20H27N3O2S/c24-19-17-8-2-3-9-18(17)21-20(23(19)15-16-7-6-13-25-16)26-14-12-22-10-4-1-5-11-22/h2-3,8-9,16H,1,4-7,10-15H2/p+1/t16-/m0/s1