[(1R)-2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylammonio]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylazaniumyl]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C19H23ClN2O2S+2 MolecularWeight: 378.91612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC(C3=CC=CS3)[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C[C@H](C3=CC=CS3)[NH+](C)C)Cl

InChI

InChI=1S/C19H21ClN2O2S/c1-12-7-17-14(9-15(12)20)13(8-19(23)24-17)10-21-11-16(22(2)3)18-5-4-6-25-18/h4-9,16,21H,10-11H2,1-3H3/p+2/t16-/m1/s1