3-(3-morpholin-4-ium-4-ylpropyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[(E)-cinnamyl]sulfanyl-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-[[(E)-3-phenylprop-2-enyl]thio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(E)-cinnamyl]thio]-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-4-one Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC=CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c28-23-21-11-4-5-12-22(21)25-24(30-19-6-10-20-8-2-1-3-9-20)27(23)14-7-13-26-15-17-29-18-16-26/h1-6,8-12H,7,13-19H2/p+1/b10-6+