(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium Openeye Name: allyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-prop-2-enyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium Traditional Name: allyl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]-(2-thenyl)ammonium Formula: C19H20NO3S+ MolecularWeight: 342.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](CC=C)CC3=CC=CS3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](CC=C)CC3=CC=CS3)O

InChI

InChI=1S/C19H19NO3S/c1-3-8-20(12-15-5-4-9-24-15)11-14-10-18(22)23-19-13(2)17(21)7-6-16(14)19/h3-7,9-10,21H,1,8,11-12H2,2H3/p+1