6-chloranyl-4-[(4-ethylpyridin-1-ium-1-yl)methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[(4-ethylpyridin-1-ium-1-yl)methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[(4-ethylpyridin-1-ium-1-yl)methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[(4-ethyl-1-pyridin-1-iumyl)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4-ethylpyridin-1-ium-1-yl)methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[(4-ethylpyridin-1-ium-1-yl)methyl]-7-methyl-coumarin Formula: C18H17ClNO2+ MolecularWeight: 314.78608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C18H17ClNO2/c1-3-13-4-6-20(7-5-13)11-14-9-18(21)22-17-8-12(2)16(19)10-15(14)17/h4-10H,3,11H2,1-2H3/q+1