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

Systemtic Name: 6,7-dimethyl-4-[[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(2-pyridin-4-ylethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-[2-(4-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=NC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)CCC4=CC=NC=C4)C

InChI

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