[(1S)-1-(2-chlorophenyl)-2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(2-chlorophenyl)-2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(2-chlorophenyl)-2-[(7-ethyl-2-oxo-chromen-4-yl)methylammonio]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(2-chlorophenyl)-2-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylammonio]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(2-chlorophenyl)-2-[(7-ethyl-2-oxochromen-4-yl)methylazaniumyl]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(2-chlorophenyl)-2-[(7-ethyl-2-keto-chromen-4-yl)methylammonio]ethyl]-dimethyl-ammonium Formula: C22H27ClN2O2+2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(C3=CC=CC=C3Cl)[NH+](C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](C3=CC=CC=C3Cl)[NH+](C)C

InChI

InChI=1S/C22H25ClN2O2/c1-4-15-9-10-17-16(12-22(26)27-21(17)11-15)13-24-14-20(25(2)3)18-7-5-6-8-19(18)23/h5-12,20,24H,4,13-14H2,1-3H3/p+2/t20-/m1/s1