2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-(2-morpholin-4-ium-4-ylethylsulfanyl)-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one CAS Name: 2-[2-(4-morpholin-4-iumyl)ethylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)quinazolin-4-one Traditional Name: 3-benzyl-2-(2-morpholin-4-ium-4-ylethylthio)quinazolin-4-one Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c25-20-18-8-4-5-9-19(18)22-21(24(20)16-17-6-2-1-3-7-17)27-15-12-23-10-13-26-14-11-23/h1-9H,10-16H2/p+1