3-(3-morpholin-4-ium-4-ylpropyl)-2-[(1R)-1-phenylethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(1R)-1-phenylethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(1R)-1-phenylethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-[[(1R)-1-phenylethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(1R)-1-phenylethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[[(1R)-1-phenylethyl]thio]quinazolin-4-one Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C23H27N3O2S/c1-18(19-8-3-2-4-9-19)29-23-24-21-11-6-5-10-20(21)22(27)26(23)13-7-12-25-14-16-28-17-15-25/h2-6,8-11,18H,7,12-17H2,1H3/p+1/t18-/m1/s1