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

Systemtic Name: 3-ethyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]benzo[g]quinazolin-4-one Openeye Name: 3-ethyl-2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylsulfanyl]benzo[g]quinazolin-4-one CAS Name: 3-ethyl-2-[[(2R)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylthio]-4-benzo[g]quinazolinone IUPAC Name: 3-ethyl-2-[[(2R)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]benzo[g]quinazolin-4-one Traditional Name: 3-ethyl-2-[[(2R)-4-isobutylmorpholin-4-ium-2-yl]methylthio]benzo[g]quinazolin-4-one Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC4C[NH+](CCO4)CC(C)C

Isomeric SMILES

CCN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SC[C@H]4C[NH+](CCO4)CC(C)C

InChI

InChI=1S/C23H29N3O2S/c1-4-26-22(27)20-11-17-7-5-6-8-18(17)12-21(20)24-23(26)29-15-19-14-25(9-10-28-19)13-16(2)3/h5-8,11-12,16,19H,4,9-10,13-15H2,1-3H3/p+1/t19-/m1/s1