6-chloranyl-7-methyl-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6-chloranyl-7-methyl-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 6-chloro-7-methyl-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 6-chloro-7-methyl-2-[oxo-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-7-methyl-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 6-chloro-7-methyl-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromone Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-15-12-20-17(13-18(15)23)19(27)14-21(29-20)22(28)26-10-8-25(9-11-26)7-5-16-4-2-3-6-24-16/h2-4,6,12-14H,5,7-11H2,1H3/p+1