(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(2-thiophen-2-ylethyl)azanium

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(2-thiophen-2-ylethyl)azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-[2-(2-thienyl)ethyl]ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-(2-thiophen-2-ylethyl)ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-(2-thiophen-2-ylethyl)azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-[2-(2-thienyl)ethyl]ammonium Formula: C17H18NO3S+ MolecularWeight: 316.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCC3=CC=CS3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCC3=CC=CS3)O

InChI

InChI=1S/C17H17NO3S/c1-11-15(19)5-4-14-12(9-16(20)21-17(11)14)10-18-7-6-13-3-2-8-22-13/h2-5,8-9,18-19H,6-7,10H2,1H3/p+1