4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-7-methoxy-coumarin Formula: C23H27N2O5S+ MolecularWeight: 443.53588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-16-4-5-17(2)22(12-16)31(27,28)25-10-8-24(9-11-25)15-18-13-23(26)30-21-14-19(29-3)6-7-20(18)21/h4-7,12-14H,8-11,15H2,1-3H3/p+1