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

Systemtic Name: 2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one CAS Name: 2-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylthio]quinazolin-4-one Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S/c1-18(2)14-26-12-13-29-20(16-26)17-30-24-25-22-11-7-6-10-21(22)23(28)27(24)15-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3/p+1/t20-/m1/s1