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

Systemtic Name: 3-methyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]benzo[g]quinazolin-4-one Openeye Name: 2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylsulfanyl]-3-methyl-benzo[g]quinazolin-4-one CAS Name: 3-methyl-2-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylthio]-4-benzo[g]quinazolinone IUPAC Name: 3-methyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]benzo[g]quinazolin-4-one Traditional Name: 2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylthio]-3-methyl-benzo[g]quinazolin-4-one Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)CSC2=NC3=CC4=CC=CC=C4C=C3C(=O)N2C

InChI

InChI=1S/C22H27N3O2S/c1-15(2)12-25-8-9-27-18(13-25)14-28-22-23-20-11-17-7-5-4-6-16(17)10-19(20)21(26)24(22)3/h4-7,10-11,15,18H,8-9,12-14H2,1-3H3/p+1/t18-/m1/s1