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

Systemtic Name: 3-(phenylmethyl)-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one CAS Name: 3-(phenylmethyl)-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-quinazolinone IUPAC Name: 3-benzyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-benzyl-2-(2-piperidin-1-ium-1-ylethylthio)quinazolin-4-one Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c26-21-19-11-5-6-12-20(19)23-22(25(21)17-18-9-3-1-4-10-18)27-16-15-24-13-7-2-8-14-24/h1,3-6,9-12H,2,7-8,13-17H2/p+1