3-phenethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-phenethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-phenethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-phenethyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-phenethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-phenethyl-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS/c27-22-20-11-5-6-12-21(20)24-23(28-18-17-25-14-7-2-8-15-25)26(22)16-13-19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2/p+1