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

Systemtic Name: [(1S)-2-[(7-methoxy-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(7-methoxy-2-oxo-chromen-4-yl)methylammonio]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(7-methoxy-2-oxo-1-benzopyran-4-yl)methylammonio]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(7-methoxy-2-oxochromen-4-yl)methylazaniumyl]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-keto-7-methoxy-chromen-4-yl)methylammonio]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H26N2O3+2 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CC1=CC(=O)OC2=C1C=CC(=C2)OC)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]CC1=CC(=O)OC2=C1C=CC(=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-23(2)19(15-7-5-4-6-8-15)14-22-13-16-11-21(24)26-20-12-17(25-3)9-10-18(16)20/h4-12,19,22H,13-14H2,1-3H3/p+2/t19-/m1/s1