4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-chromen-2-one CAS Name: 4-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethylchromen-2-one Traditional Name: 4-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5,7-dimethyl-coumarin Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3/c1-16-12-17(2)23-18(14-22(26)28-21(23)13-16)15-24-8-10-25(11-9-24)19-4-6-20(27-3)7-5-19/h4-7,12-14H,8-11,15H2,1-3H3/p+1