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

Systemtic Name: 6-ethyl-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-chromen-2-one CAS Name: 6-ethyl-7-hydroxy-8-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenylchromen-2-one Traditional Name: 6-ethyl-7-hydroxy-8-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-coumarin Formula: C24H28NO3+ MolecularWeight: 378.48402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CCC(CC4)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)C[NH+]4CCC(CC4)C)O

InChI

InChI=1S/C24H27NO3/c1-3-17-13-20-19(18-7-5-4-6-8-18)14-22(26)28-24(20)21(23(17)27)15-25-11-9-16(2)10-12-25/h4-8,13-14,16,27H,3,9-12,15H2,1-2H3/p+1