6-chloranyl-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6-chloranyl-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 6-chloro-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 6-chloro-2-[oxo-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 6-chloro-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromone Formula: C21H21ClN3O3+ MolecularWeight: 398.86274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H20ClN3O3/c22-16-1-2-19-17(13-16)18(26)14-20(28-19)21(27)25-11-9-24(10-12-25)8-5-15-3-6-23-7-4-15/h1-4,6-7,13-14H,5,8-12H2/p+1