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

Systemtic Name: 4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[(4-acetyl-1-piperazin-1-iumyl)methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-8-methyl-coumarin Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-11-15(21)4-3-14-13(9-16(22)23-17(11)14)10-18-5-7-19(8-6-18)12(2)20/h3-4,9,21H,5-8,10H2,1-2H3/p+1