3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylchromen-2-one

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylchromen-2-one Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one CAS Name: 3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)chromen-2-one Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)coumarin Formula: C19H18N3O3+ MolecularWeight: 336.36452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C19H17N3O3/c23-18(15-13-14-5-1-2-6-16(14)25-19(15)24)22-11-9-21(10-12-22)17-7-3-4-8-20-17/h1-8,13H,9-12H2/p+1