6-chloranyl-7-methyl-4-[(3-oxidanylpyridin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(3-oxidanylpyridin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-4-[(3-hydroxypyridin-1-ium-1-yl)methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[(3-hydroxy-1-pyridin-1-iumyl)methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(3-hydroxypyridin-1-ium-1-yl)methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[(3-hydroxypyridin-1-ium-1-yl)methyl]-7-methyl-coumarin Formula: C16H13ClNO3+ MolecularWeight: 302.73232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=CC(=C3)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC=CC(=C3)O)Cl

InChI

InChI=1S/C16H12ClNO3/c1-10-5-15-13(7-14(10)17)11(6-16(20)21-15)8-18-4-2-3-12(19)9-18/h2-7,9H,8H2,1H3/p+1