3-(3-morpholin-4-ium-4-ylpropyl)-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-[[(1S)-2-oxocyclohexyl]thio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(1S)-2-ketocyclohexyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C21H27N3O3S/c25-18-8-3-4-9-19(18)28-21-22-17-7-2-1-6-16(17)20(26)24(21)11-5-10-23-12-14-27-15-13-23/h1-2,6-7,19H,3-5,8-15H2/p+1/t19-/m0/s1