3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H19N3O3/c24-19(17-13-16-3-1-2-4-18(16)26-20(17)25)23-11-9-22(10-12-23)14-15-5-7-21-8-6-15/h1-8,13H,9-12,14H2/p+1