dimethyl-[3-(7-oxidanylidenefuro[3,2-g]chromen-9-yl)oxypropyl]-(2-sulfanylethyl)azanium

Systemtic Name: dimethyl-[3-(7-oxidanylidenefuro[3,2-g]chromen-9-yl)oxypropyl]-(2-sulfanylethyl)azanium Openeye Name: dimethyl-[3-(7-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-(2-sulfanylethyl)ammonium CAS Name: 2-mercaptoethyl-dimethyl-[3-[(7-oxo-9-furo[3,2-g][1]benzopyranyl)oxy]propyl]ammonium IUPAC Name: dimethyl-[3-(7-oxofuro[3,2-g]chromen-9-yl)oxypropyl]-(2-sulfanylethyl)azanium Traditional Name: 3-(7-ketofuro[3,2-g]chromen-9-yl)oxypropyl-(2-mercaptoethyl)-dimethyl-ammonium Formula: C18H22NO4S+ MolecularWeight: 348.43658

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)CCS

Isomeric SMILES

C[N+](C)(CCCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)CCS

InChI

InChI=1S/C18H21NO4S/c1-19(2,8-11-24)7-3-9-21-18-16-14(6-10-22-16)12-13-4-5-15(20)23-17(13)18/h4-6,10,12H,3,7-9,11H2,1-2H3/p+1