2-azanyl-4-(1-ethylpyridin-1-ium-3-yl)-7,7-dimethyl-3-propanoyl-6,8-dihydro-4H-chromen-5-one bromide

Systemtic Name: 2-azanyl-4-(1-ethylpyridin-1-ium-3-yl)-7,7-dimethyl-3-propanoyl-6,8-dihydro-4H-chromen-5-one bromide Openeye Name: 2-amino-4-(1-ethylpyridin-1-ium-3-yl)-7,7-dimethyl-3-propanoyl-6,8-dihydro-4H-chromen-5-one bromide CAS Name: 2-amino-4-(1-ethyl-3-pyridin-1-iumyl)-7,7-dimethyl-3-(1-oxopropyl)-6,8-dihydro-4H-1-benzopyran-5-one bromide IUPAC Name: 2-amino-4-(1-ethylpyridin-1-ium-3-yl)-7,7-dimethyl-3-propanoyl-6,8-dihydro-4H-chromen-5-one bromide Traditional Name: 2-amino-4-(1-ethylpyridin-1-ium-3-yl)-7,7-dimethyl-3-propionyl-6,8-dihydro-4H-chromen-5-one bromide Formula: C21H27BrN2O3 MolecularWeight: 435.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(OC2=C(C1C3=C[N+](=CC=C3)CC)C(=O)CC(C2)(C)C)N.[Br-]

Isomeric SMILES

CCC(=O)C1=C(OC2=C(C1C3=C[N+](=CC=C3)CC)C(=O)CC(C2)(C)C)N.[Br-]

InChI

InChI=1S/C21H26N2O3.BrH/c1-5-14(24)19-17(13-8-7-9-23(6-2)12-13)18-15(25)10-21(3,4)11-16(18)26-20(19)22;/h7-9,12,17H,5-6,10-11H2,1-4H3,(H-,22,24);1H