[azanyl-[3-(4-chloranyl-1-oxidanylidene-isochromen-3-yl)oxypropylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[3-(4-chloranyl-1-oxidanylidene-isochromen-3-yl)oxypropylsulfanyl]methylidene]azanium Openeye Name: [amino-[3-(4-chloro-1-oxo-isochromen-3-yl)oxypropylsulfanyl]methylene]ammonium CAS Name: [amino-[3-[(4-chloro-1-oxo-2-benzopyran-3-yl)oxy]propylthio]methylidene]ammonium IUPAC Name: [amino-[3-(4-chloro-1-oxoisochromen-3-yl)oxypropylsulfanyl]methylidene]azanium Traditional Name: [amino-[3-(4-chloro-1-keto-isochromen-3-yl)oxypropylthio]methylene]ammonium Formula: C13H14ClN2O3S+ MolecularWeight: 313.77986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(OC2=O)OCCCSC(=[NH2+])N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(OC2=O)OCCCSC(=[NH2+])N)Cl

InChI

InChI=1S/C13H13ClN2O3S/c14-10-8-4-1-2-5-9(8)11(17)19-12(10)18-6-3-7-20-13(15)16/h1-2,4-5H,3,6-7H2,(H3,15,16)/p+1