2-[ethyl-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[ethyl-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[ethyl-[(7-hydroxy-4-oxo-3-phenyl-chromen-8-yl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[ethyl-[(7-hydroxy-4-oxo-3-phenyl-1-benzopyran-8-yl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[ethyl-[(7-hydroxy-4-oxo-3-phenylchromen-8-yl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[ethyl-[(7-hydroxy-4-keto-3-phenyl-chromen-8-yl)methyl]amino]ethyl-dimethyl-ammonium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+](C)C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3)O

Isomeric SMILES

CCN(CC[NH+](C)C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H26N2O3/c1-4-24(13-12-23(2)3)14-18-20(25)11-10-17-21(26)19(15-27-22(17)18)16-8-6-5-7-9-16/h5-11,15,25H,4,12-14H2,1-3H3/p+1