3-ethyl-2-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-ethyl-2-[[(2R)-4-(phenylmethyl)morpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 2-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methylsulfanyl]-3-ethyl-quinazolin-4-one CAS Name: 3-ethyl-2-[[(2R)-4-(phenylmethyl)-2-morpholin-4-iumyl]methylthio]-4-quinazolinone IUPAC Name: 2-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methylsulfanyl]-3-ethylquinazolin-4-one Traditional Name: 2-[[(2R)-4-benzylmorpholin-4-ium-2-yl]methylthio]-3-ethyl-quinazolin-4-one Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC3C[NH+](CCO3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC[C@H]3C[NH+](CCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c1-2-25-21(26)19-10-6-7-11-20(19)23-22(25)28-16-18-15-24(12-13-27-18)14-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3/p+1/t18-/m1/s1