7-chloranyl-2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]ethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[2-keto-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]thio]quinazolin-4-one Formula: C25H28ClN4O3S+ MolecularWeight: 500.03282

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H27ClN4O3S/c1-2-10-30-24(32)21-9-8-19(26)17-22(21)27-25(30)34-18-23(31)29-13-11-28(12-14-29)15-16-33-20-6-4-3-5-7-20/h2-9,17H,1,10-16,18H2/p+1