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

Systemtic Name: dimethyl-[(1R)-2-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methylazaniumyl]-1-thiophen-2-yl-ethyl]azanium Openeye Name: [(1R)-2-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methylammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-2-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methylammonio]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methylazaniumyl]-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-2-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methylammonio]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C22H30N2O2S+2 MolecularWeight: 386.5508

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-14(2)17-11-18-16(10-22(25)26-20(18)9-15(17)3)12-23-13-19(24(4)5)21-7-6-8-27-21/h6-11,14,19,23H,12-13H2,1-5H3/p+2/t19-/m1/s1