1-[(5-methylfuran-2-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-methyl-2-furyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(5-methyl-2-furanyl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-mesitylsulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium Formula: C19H27N2O3S+ MolecularWeight: 363.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C19H26N2O3S/c1-14-11-15(2)19(16(3)12-14)25(22,23)21-9-7-20(8-10-21)13-18-6-5-17(4)24-18/h5-6,11-12H,7-10,13H2,1-4H3/p+1