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

Systemtic Name: 3-cyclopentyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-cyclopentyl-2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-cyclopentyl-2-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylthio]-4-quinazolinone IUPAC Name: 3-cyclopentyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-cyclopentyl-2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylthio]quinazolin-4-one Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C22H31N3O2S/c1-16(2)13-24-11-12-27-18(14-24)15-28-22-23-20-10-6-5-9-19(20)21(26)25(22)17-7-3-4-8-17/h5-6,9-10,16-18H,3-4,7-8,11-15H2,1-2H3/p+1/t18-/m1/s1