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

Systemtic Name: [(1S)-2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(7-ethyl-2-oxo-chromen-4-yl)methylammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(7-ethyl-2-oxochromen-4-yl)methylazaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(7-ethyl-2-keto-chromen-4-yl)methylammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C22H28N2O2+2 MolecularWeight: 352.46992

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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=C3)[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O2/c1-4-16-10-11-19-18(13-22(25)26-21(19)12-16)14-23-15-20(24(2)3)17-8-6-5-7-9-17/h5-13,20,23H,4,14-15H2,1-3H3/p+2/t20-/m1/s1