dimethyl-[(1R)-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-2-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C20H23N2O4S+ MolecularWeight: 387.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NCC(C3=CC=CS3)[NH+](C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC[C@H](C3=CC=CS3)[NH+](C)C

InChI

InChI=1S/C20H22N2O4S/c1-13-9-20(24)26-17-10-14(6-7-15(13)17)25-12-19(23)21-11-16(22(2)3)18-5-4-8-27-18/h4-10,16H,11-12H2,1-3H3,(H,21,23)/p+1/t16-/m1/s1