2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]acetamide Formula: C24H26ClN4O2S+ MolecularWeight: 470.00684

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25ClN4O2S/c1-2-11-29-23(31)20-9-8-18(25)13-21(20)27-24(29)32-16-22(30)26-19-10-12-28(15-19)14-17-6-4-3-5-7-17/h2-9,13,19H,1,10-12,14-16H2,(H,26,30)/p+1/t19-/m0/s1