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

Systemtic Name: 6,7-dimethyl-4-[[4-(2-pyridin-2-ylethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-[2-(2-pyridyl)ethyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-[2-(2-pyridinyl)ethyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(2-pyridin-2-ylethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-[2-(2-pyridyl)ethyl]piperazin-1-ium-1-yl]methyl]coumarin Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CCC4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CCC4=CC=CC=N4)C

InChI

InChI=1S/C23H27N3O2/c1-17-13-21-19(15-23(27)28-22(21)14-18(17)2)16-26-11-9-25(10-12-26)8-6-20-5-3-4-7-24-20/h3-5,7,13-15H,6,8-12,16H2,1-2H3/p+1