6,8-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 6,8-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 6,8-dimethyl-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 6,8-dimethyl-2-[oxo-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6,8-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 6,8-dimethyl-2-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=N4)C

InChI

InChI=1S/C23H25N3O3/c1-16-13-17(2)22-19(14-16)20(27)15-21(29-22)23(28)26-11-9-25(10-12-26)8-6-18-5-3-4-7-24-18/h3-5,7,13-15H,6,8-12H2,1-2H3/p+1