[(1S)-2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylammonio]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylammonio]-1-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylazaniumyl]-1-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylammonio]-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C22H27ClN2O3+2 MolecularWeight: 402.91438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3/c1-14-8-21-18(11-19(14)23)16(10-22(26)28-21)12-24-13-20(25(2)3)15-6-5-7-17(9-15)27-4/h5-11,20,24H,12-13H2,1-4H3/p+2/t20-/m1/s1