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

Systemtic Name: 4-[[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-coumarin Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC(CC3)C(=O)N4CCCCCC4)O

InChI

InChI=1S/C23H30N2O4/c1-16-20(26)7-6-19-18(14-21(27)29-22(16)19)15-24-12-8-17(9-13-24)23(28)25-10-4-2-3-5-11-25/h6-7,14,17,26H,2-5,8-13,15H2,1H3/p+1