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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

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