3-(3-morpholin-4-ium-4-ylpropyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c26-21-19-9-4-5-10-20(19)23-22(28-17-18-7-2-1-3-8-18)25(21)12-6-11-24-13-15-27-16-14-24/h1-5,7-10H,6,11-17H2/p+1