(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-methyl-(3-thienylmethyl)ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-methyl-(3-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=CSC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CSC=C3)O

InChI

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