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

Systemtic Name: 4-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[(4-acetyl-1-piperazin-1-iumyl)methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[(4-acetylpiperazin-1-ium-1-yl)methyl]-7,8-dimethyl-coumarin Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C18H22N2O3/c1-12-4-5-16-15(10-17(22)23-18(16)13(12)2)11-19-6-8-20(9-7-19)14(3)21/h4-5,10H,6-9,11H2,1-3H3/p+1