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

Systemtic Name: [(1S)-2-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylazaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H25ClN2O2+2 MolecularWeight: 372.8884

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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)[NH+](C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O2/c1-14-9-20-17(11-18(14)22)16(10-21(25)26-20)12-23-13-19(24(2)3)15-7-5-4-6-8-15/h4-11,19,23H,12-13H2,1-3H3/p+2/t19-/m1/s1