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

Systemtic Name: 8-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methyl-coumarin Formula: C25H35N2O4+ MolecularWeight: 427.5564

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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)N4CCCCCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)O

InChI

InChI=1S/C25H34N2O4/c1-3-18-15-20-17(2)14-22(28)31-24(20)21(23(18)29)16-26-12-8-19(9-13-26)25(30)27-10-6-4-5-7-11-27/h14-15,19,29H,3-13,16H2,1-2H3/p+1