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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-2-methyl-1-thiophen-2-yl-propyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(1S)-2-methyl-1-(2-thienyl)propyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(1S)-2-methyl-1-thiophen-2-ylpropyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(1S)-2-methyl-1-thiophen-2-ylpropyl]azanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-[(1S)-2-methyl-1-(2-thienyl)propyl]ammonium Formula: C20H24NO2S+ MolecularWeight: 342.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C(C3=CC=CS3)C(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@H](C3=CC=CS3)C(C)C)C

InChI

InChI=1S/C20H23NO2S/c1-12(2)20(18-6-5-7-24-18)21-11-15-10-19(22)23-17-9-14(4)13(3)8-16(15)17/h5-10,12,20-21H,11H2,1-4H3/p+1/t20-/m0/s1