6-chloranyl-4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-7-methyl-chromen-2-one Openeye Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[(4-acetyl-1-piperazin-1-iumyl)methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6-chloro-7-methyl-coumarin Formula: C17H20ClN2O3+ MolecularWeight: 335.8053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C17H19ClN2O3/c1-11-7-16-14(9-15(11)18)13(8-17(22)23-16)10-19-3-5-20(6-4-19)12(2)21/h7-9H,3-6,10H2,1-2H3/p+1