7-chloranyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-3-propan-2-yl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-3-propan-2-yl-quinazolin-4-one Openeye Name: 7-chloro-2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylsulfanyl]-3-isopropyl-quinazolin-4-one CAS Name: 7-chloro-2-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylthio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 7-chloro-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-3-propan-2-ylquinazolin-4-one Traditional Name: 7-chloro-2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylthio]-3-isopropyl-quinazolin-4-one Formula: C20H29ClN3O2S+ MolecularWeight: 410.98116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

InChI

InChI=1S/C20H28ClN3O2S/c1-13(2)10-23-7-8-26-16(11-23)12-27-20-22-18-9-15(21)5-6-17(18)19(25)24(20)14(3)4/h5-6,9,13-14,16H,7-8,10-12H2,1-4H3/p+1/t16-/m1/s1