4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-chromen-2-one Openeye Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-chromen-2-one CAS Name: 4-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxychromen-2-one Traditional Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-coumarin Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=C(C=C4)OC

InChI

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