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

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

Systemtic Name:2-azanyl-4-(1-ethylpyridin-1-ium-3-yl)-7,7-dimethyl-3-propanoyl-6,8-dihydro-4H-chromen-5-one
Openeye Name:2-amino-4-(1-ethylpyridin-1-ium-3-yl)-7,7-dimethyl-3-propanoyl-6,8-dihydro-4H-chromen-5-one
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
IUPAC Name:2-amino-4-(1-ethylpyridin-1-ium-3-yl)-7,7-dimethyl-3-propanoyl-6,8-dihydro-4H-chromen-5-one
Traditional Name:2-amino-4-(1-ethylpyridin-1-ium-3-yl)-7,7-dimethyl-3-propionyl-6,8-dihydro-4H-chromen-5-one
Formula: C21H27N2O3+
MolecularWeight: 355.45068
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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


Isomeric SMILES

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


InChI

InChI=1S/C21H26N2O3/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)/p+1


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