1-[(5-methylfuran-2-yl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-methyl-2-furyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(5-methyl-2-furanyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-[(5-methyl-2-furyl)methyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazin-1-ium Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/c1-14-12-15(2)18(5)20(17(14)4)26(23,24)22-10-8-21(9-11-22)13-19-7-6-16(3)25-19/h6-7,12H,8-11,13H2,1-5H3/p+1