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

Systemtic Name: 6,7-dimethyl-4-[[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 4-[[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-6,7-dimethyl-coumarin Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C24H30N4O2/c1-15(2)24-25-18(5)12-22(26-24)28-8-6-27(7-9-28)14-19-13-23(29)30-21-11-17(4)16(3)10-20(19)21/h10-13,15H,6-9,14H2,1-5H3/p+1