6-ethyl-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]coumarin Formula: C19H26NO3+ MolecularWeight: 316.41464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCC(CC3)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCC(CC3)C)O

InChI

InChI=1S/C19H25NO3/c1-4-14-10-15-13(3)9-17(21)23-19(15)16(18(14)22)11-20-7-5-12(2)6-8-20/h9-10,12,22H,4-8,11H2,1-3H3/p+1