3-piperazin-4-ium-1-ylcarbonylchromen-2-one

Systemtic Name: 3-piperazin-4-ium-1-ylcarbonylchromen-2-one Openeye Name: 3-(piperazin-4-ium-1-carbonyl)chromen-2-one CAS Name: 3-[oxo(1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 3-(piperazin-4-ium-1-carbonyl)chromen-2-one Traditional Name: 3-(piperazin-4-ium-1-carbonyl)coumarin Formula: C14H15N2O3+ MolecularWeight: 259.2805

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C14H14N2O3/c17-13(16-7-5-15-6-8-16)11-9-10-3-1-2-4-12(10)19-14(11)18/h1-4,9,15H,5-8H2/p+1