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

Systemtic Name: 4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[(4-acetyl-1-piperazin-1-iumyl)methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-6,7-dimethyl-coumarin Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C18H22N2O3/c1-12-8-16-15(10-18(22)23-17(16)9-13(12)2)11-19-4-6-20(7-5-19)14(3)21/h8-10H,4-7,11H2,1-3H3/p+1