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

Systemtic Name: 7-methyl-6-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-methyl-6-propan-2-yl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-6-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=NC=CC=N4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C4=NC=CC=N4)C(C)C

InChI

InChI=1S/C22H26N4O2/c1-15(2)18-13-19-17(12-21(27)28-20(19)11-16(18)3)14-25-7-9-26(10-8-25)22-23-5-4-6-24-22/h4-6,11-13,15H,7-10,14H2,1-3H3/p+1