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

Systemtic Name: 6-ethyl-4-methyl-7-oxidanyl-8-[(4-pyrrolidin-1-ylcarbonylpiperidin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-[oxo(1-pyrrolidinyl)methyl]-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]methyl]coumarin Formula: C23H31N2O4+ MolecularWeight: 399.50324

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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)N4CCCC4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCC(CC3)C(=O)N4CCCC4)O

InChI

InChI=1S/C23H30N2O4/c1-3-16-13-18-15(2)12-20(26)29-22(18)19(21(16)27)14-24-10-6-17(7-11-24)23(28)25-8-4-5-9-25/h12-13,17,27H,3-11,14H2,1-2H3/p+1