(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-2-methyl-1-thiophen-2-yl-propyl]azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-2-methyl-1-thiophen-2-yl-propyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[(1S)-2-methyl-1-(2-thienyl)propyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(1S)-2-methyl-1-thiophen-2-ylpropyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(1S)-2-methyl-1-thiophen-2-ylpropyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[(1S)-2-methyl-1-(2-thienyl)propyl]ammonium Formula: C20H24NO3S+ MolecularWeight: 358.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C(C3=CC=CS3)C(C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@H](C3=CC=CS3)C(C)C)O

InChI

InChI=1S/C20H23NO3S/c1-4-13-8-15-14(9-19(23)24-17(15)10-16(13)22)11-21-20(12(2)3)18-6-5-7-25-18/h5-10,12,20-22H,4,11H2,1-3H3/p+1/t20-/m0/s1