[azanyl-[3-(7-azanyl-4-chloranyl-1-oxidanylidene-isochromen-3-yl)oxypropylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[3-(7-azanyl-4-chloranyl-1-oxidanylidene-isochromen-3-yl)oxypropylsulfanyl]methylidene]azanium Openeye Name: [amino-[3-(7-amino-4-chloro-1-oxo-isochromen-3-yl)oxypropylsulfanyl]methylene]ammonium CAS Name: [amino-[3-[(7-amino-4-chloro-1-oxo-2-benzopyran-3-yl)oxy]propylthio]methylidene]ammonium IUPAC Name: [amino-[3-(7-amino-4-chloro-1-oxoisochromen-3-yl)oxypropylsulfanyl]methylidene]azanium Traditional Name: [amino-[3-(7-amino-4-chloro-1-keto-isochromen-3-yl)oxypropylthio]methylene]ammonium Formula: C13H15ClN3O3S+ MolecularWeight: 328.7945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)C(=O)OC(=C2Cl)OCCCSC(=[NH2+])N

Isomeric SMILES

C1=CC2=C(C=C1N)C(=O)OC(=C2Cl)OCCCSC(=[NH2+])N

InChI

InChI=1S/C13H14ClN3O3S/c14-10-8-3-2-7(15)6-9(8)11(18)20-12(10)19-4-1-5-21-13(16)17/h2-3,6H,1,4-5,15H2,(H3,16,17)/p+1