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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-methyl-(2-thienylmethyl)ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-methyl-(2-thenyl)ammonium Formula: C18H20NO3S+ MolecularWeight: 330.4213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-3-12-7-15-13(8-18(21)22-17(15)9-16(12)20)10-19(2)11-14-5-4-6-23-14/h4-9,20H,3,10-11H2,1-2H3/p+1