2-(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl-dimethyl-azanium

Systemtic Name: 2-(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethyl-dimethyl-azanium Openeye Name: 2-(7-chloro-3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-3-cyclopentyl-4-oxo-2-quinazolinyl)thio]ethyl-dimethylammonium IUPAC Name: 2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylethyl-dimethylazanium Traditional Name: 2-[(7-chloro-3-cyclopentyl-4-keto-quinazolin-2-yl)thio]ethyl-dimethyl-ammonium Formula: C17H23ClN3OS+ MolecularWeight: 352.90202

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCC3

Isomeric SMILES

C[NH+](C)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3CCCC3

InChI

InChI=1S/C17H22ClN3OS/c1-20(2)9-10-23-17-19-15-11-12(18)7-8-14(15)16(22)21(17)13-5-3-4-6-13/h7-8,11,13H,3-6,9-10H2,1-2H3/p+1