3-(4-methylpiperazin-4-ium-1-yl)carbonylisochromen-1-one

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)carbonylisochromen-1-one Openeye Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)isochromen-1-one CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-benzopyran-1-one IUPAC Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)isochromen-1-one Traditional Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)isocoumarin Formula: C15H17N2O3+ MolecularWeight: 273.30708

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C15H16N2O3/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15(19)20-13/h2-5,10H,6-9H2,1H3/p+1