6,7-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C20H22N4O2/c1-14-10-17-16(12-19(25)26-18(17)11-15(14)2)13-23-6-8-24(9-7-23)20-21-4-3-5-22-20/h3-5,10-12H,6-9,13H2,1-2H3/p+1