7,8-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one

Systemtic Name: 7,8-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonyl-chromen-4-one Openeye Name: 7,8-dimethyl-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 7,8-dimethyl-2-[oxo-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 7,8-dimethyl-2-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 7,8-dimethyl-2-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]chromone Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4)C

InChI

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