(2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: (2R)-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2R)-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]propionitrile Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3

Isomeric SMILES

C[C@H](C#N)SC1=NC2=CC=CC=C2C(=O)N1CCC[NH+]3CCOCC3

InChI

InChI=1S/C18H22N4O2S/c1-14(13-19)25-18-20-16-6-3-2-5-15(16)17(23)22(18)8-4-7-21-9-11-24-12-10-21/h2-3,5-6,14H,4,7-12H2,1H3/p+1/t14-/m1/s1