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

Systemtic Name: 3-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[oxo-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]coumarin Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H21N3O3/c25-20(18-15-16-5-1-2-7-19(16)27-21(18)26)24-13-11-23(12-14-24)10-8-17-6-3-4-9-22-17/h1-7,9,15H,8,10-14H2/p+1