(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-(2-thienylmethyl)ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-(2-thenyl)ammonium Formula: C17H18NO3S+ MolecularWeight: 316.39472

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC3=CC=CS3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC3=CC=CS3)O

InChI

InChI=1S/C17H17NO3S/c1-2-11-6-14-12(9-18-10-13-4-3-5-22-13)7-17(20)21-16(14)8-15(11)19/h3-8,18-19H,2,9-10H2,1H3/p+1