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

Systemtic Name: [(1S)-2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-(4-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(7-ethyl-2-oxo-chromen-4-yl)methylammonio]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylammonio]-1-(4-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(7-ethyl-2-oxochromen-4-yl)methylazaniumyl]-1-(4-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(7-ethyl-2-keto-chromen-4-yl)methylammonio]-1-(4-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C23H30N2O3+2 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-5-16-6-11-20-18(13-23(26)28-22(20)12-16)14-24-15-21(25(2)3)17-7-9-19(27-4)10-8-17/h6-13,21,24H,5,14-15H2,1-4H3/p+2/t21-/m1/s1